Heat Of Combustion Of Ethane

Ethane

• Formula: C_iiH₆
• Molecular weight: 30.0690

• IUPAC Standard InChI: InChI=1S/C2H6/c1-ii/h1-2H3

  

• IUPAC Standard InChIKey: OTMSDBZUPAUEDD-UHFFFAOYSA-North
• CAS Registry Number: 74-84-0
• Chemical structure:
  This structure is likewise available every bit a 2nd Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same construction:
  • 1-Ethenyl-1-methyl-2,4-bis-(1-methylethenyl)-1S-1α,2β,4α-cyclohexane
• Isotopologues:
  • pentadeuteroethane
  • Ethane-d1
• Other names: Bimethyl; Dimethyl; Ethyl hydride; Methylmethane; C2H6; UN 1035; United nations 1961
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry information
  • Phase modify data
  • Reaction thermochemistry information
  • Gas phase ion energetics data
  • References
  • Notes
• Other data bachelor:
  • Henry'southward Law data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Fluid Backdrop
• Data at other public NIST sites:
  • Microwave spectra (on physics lab spider web site)
  • Electron-Bear on Ionization Cross Sections (on physics web site)
  • Computational Chemical science Comparison and Benchmark Database
  • Gas Phase Kinetics Database
  • Reference simulation
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, "low-cal" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas stage thermochemistry information

Go To: Top, Condensed phase thermochemistry data, Phase change information, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

Information compilation copyright by the U.S. Secretarial assistant of Commerce on behalf of the U.Due south.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
ΔfH°gas	-84. ± 0.4	kJ/mol	Review	Manion, 2002	adopted recommendation of Gurvich, Veyts, et al., 1991; DRB
ΔfH°gas	-83.8 ± 0.3	kJ/mol	Ccb	Pittam and Pilcher, 1972	ALS
ΔfH°gas	-84.67 ± 0.49	kJ/mol	Ccb	Prosen and Rossini, 1945	Hf derived from Heat of Hydrogenation; ALS
Quantity	Value	Units	Method	Reference	Comment
ΔcH°gas	-1560.7 ± 0.3	kJ/mol	Ccb	Pittam and Pilcher, 1972	Corresponding ΔfHºgas = -83.85 kJ/mol (simple adding by NIST; no Washburn corrections); ALS
ΔcH°gas	-1559.9 ± 0.46	kJ/mol	Ccb	Prosen and Rossini, 1945	Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -84.64 kJ/mol (simple adding by NIST; no Washburn corrections); ALS
ΔcH°gas	-1559.viii ± 0.46	kJ/mol	Ccb	Rossini, 1934	Corresponding ΔfHºgas = -84.68 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant force per unit area oestrus capacity of gas

Cp,gas (J/mol*K)	Temperature (One thousand)	Reference	Annotate
35.70	100.	Gurvich, Veyts, et al., 1989	p=ane bar. Recommended entropies and oestrus capacities are in good agreement with those obtained from other statistical thermodynamic calculations [ Pitzer K.Due south., 1944, Chao J., 1973, Pamidimukkala 1000.One thousand., 1982].; GT
42.30	200.
52.49	298.15
52.71	300.
65.46	400.
77.94	500.
89.19	600.
99.14	700.
107.94	800.
115.71	900.
122.55	1000.
128.55	1100.
133.80	1200.
138.39	1300.
142.xl	1400.
145.ninety	1500.
148.98	1600.
151.67	1700.
154.04	1800.
156.xiv	1900.
158.00	2000.
159.65	2100.
161.12	2200.
162.43	2300.
163.61	2400.
164.67	2500.
165.63	2600.
166.49	2700.
167.28	2800.
168.00	2900.
168.65	3000.

Constant force per unit area heat capacity of gas

Cp,gas (J/mol*K)	Temperature (K)	Reference	Comment
41.66 ± 0.31	189.twenty	Halford J.O., 1957	Please also see Eucken A., 1933, Kistiakowsky G.B., 1939, Dailey B.P., 1943.; GT
43.25 ± 0.32	209.30
45.08 ± 0.34	229.65
47.27 ± 0.35	249.90
47.17 ± 0.35	250.15
49.68 ± 0.37	272.00
49.51 ± 0.04	272.07
50.66 ± 0.42	279.00
52.14 ± 0.39	292.00
53.27 ± 0.07	302.70
57.forty ± 0.04	335.82
58.91	347.65
lx.38	359.75
61.04 ± 0.x	364.78
62.x ± 0.47	373.60
63.89	387.55
72.43	451.95
80.08	520.55
86.27	561.65
90.46	603.25

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Condensed phase thermochemistry information

Become To: Top, Gas phase thermochemistry information, Phase change information, Reaction thermochemistry data, Gas stage ion energetics information, References, Notes

Data compilation copyright by the U.South. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Annotate
S°liquid	126.vii	J/mol*Yard	North/A	Witt and Kemp, 1937	Entropy from 0 to 15 K calculated using a Debye function.

Constant pressure level heat capacity of liquid

Cp,liquid (J/mol*K)	Temperature (Chiliad)	Reference	Comment
68.66	100.	Atake and Chihara, 1976	T = 50 to 100 K. Data given graphically. Cp = 0.69933 (T/Yard) - 2.385 J/mol*K (50 to 70 K, for solid).
68.five	94.	Roder, 1976	From data 90.3 to 94 One thousand. Average value over range.
68.44	100.32	Roder, 1976, two	T = 93 to 301 K (saturation line), 91 to 330 K, pressures from 0 to 33 MPa.
72.22	180.	Witt and Kemp, 1937	T = 15 to 185 K.
74.48	200.	Wiebe, Hubbard, et al., 1930	T = 67 to 305.2 K. Heat capacity of saturated liquid given to 295 K is 136.ane J/mol*G.

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Phase modify data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry information, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

Data compilation copyright past the U.South. Secretary of Commerce on behalf of the United statesA. All rights reserved.

Data compiled as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny manager
AC - William Eastward. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
Tboil	184.half dozen ± 0.6	K	AVG	Northward/A	Average of 23 values; Individual data points
Quantity	Value	Units	Method	Reference	Annotate
Tfus	101.	Yard	N/A	Streng, 1971	Incertitude assigned by TRC = 1. One thousand; TRC
Tfus	89.ii	K	N/A	Timmermans, 1935	Uncertainty assigned by TRC = 1.5 One thousand; TRC
Quantity	Value	Units	Method	Reference	Annotate
Ttriple	91. ± 6.	M	AVG	Northward/A	Average of 10 values; Individual information points
Quantity	Value	Units	Method	Reference	Annotate
Ptriple	0.000011	bar	North/A	Younglove and Ely, 1987	Uncertainty assigned past TRC = v.×10-9 bar; TRC
Quantity	Value	Units	Method	Reference	Comment
Tc	305.three ± 0.3	Yard	AVG	N/A	Average of 41 out of 46 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Pc	49. ± i.	bar	AVG	North/A	Boilerplate of 28 out of 29 values; Individual information points
Quantity	Value	Units	Method	Reference	Comment
Vc	0.147 ± 0.002	50/mol	AVG	N/A	Average of 6 values; Private information points
Quantity	Value	Units	Method	Reference	Comment
ρc	6.9 ± 0.4	mol/50	AVG	N/A	Average of 19 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
ΔvapH°	9.76	kJ/mol	Northward/A	Majer and Svoboda, 1985

Enthalpy of vaporization

ΔvapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
14.703	184.ane	N/A	Witt and Kemp, 1937	DH
15.3	288.	A	Stephenson and Malanowski, 1987	Based on data from 273. - 305. K.; AC
15.vii	170.	A	Stephenson and Malanowski, 1987	Based on data from 154. - 185. K.; AC
17.vii	114.	A	Stephenson and Malanowski, 1987	Based on data from 95. - 129. K.; AC
xiv.9	214.	A	Stephenson and Malanowski, 1987	Based on data from 185. - 229. K.; AC
xiv.9	259.	A	Stephenson and Malanowski, 1987	Based on information from 228. - 274. M.; AC
17.1	129.	North/A	Carruth and Kobayashi, 1973	Based on information from 91. - 144. K.; Ac
xiv.7	210.	N/A	Reid, 1972	Air conditioning
14.7	184.	North/A	Witt and Kemp, 1937	AC
fifteen.iii	185.	N/A	Loomis and Walters, 1926	Based on data from 136. - 200. K.; Ac

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (one − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
T_r = reduced temperature (T / T_c)

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Temperature (K)	A (kJ/mol)	β	Tc (K)	Reference
289. - 301.	29.43	0.3696	305.four	Majer and Svoboda, 1985

Entropy of vaporization

ΔvapSouth (J/mol*K)	Temperature (K)	Reference	Comment
79.87	184.1	Witt and Kemp, 1937	DH

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)

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Temperature (One thousand)	A	B	C	Reference	Comment
91.33 - 144.xiii	4.50706	791.3	-6.422	Carruth and Kobayashi, 1973	Coefficents calculated by NIST from author'due south information.
135.74 - 199.91	3.93835	659.739	-16.719	Loomis and Walters, 1926	Coefficents calculated past NIST from author'south data.

Enthalpy of sublimation

ΔsubH (kJ/mol)	Temperature (Thousand)	Method	Reference	Comment
22.6	85.	Northward/A	Regnier, 1972	Based on data from 80. - 90. K.; AC
xx.5	90.	B	Bondi, 1963	Air conditioning

Enthalpy of fusion

ΔfusH (kJ/mol)	Temperature (K)	Reference	Comment
0.583	xc.341	Atake and Chihara, 1976	Triple point.; DH
2.79	89.v	Domalski and Hearing, 1996	AC
0.58	90.3	Atake and Chihara, 1976	Ac

Entropy of fusion

ΔfusSouth (J/mol*K)	Temperature (M)	Reference	Comment
6.46	90.341	Atake and Chihara, 1976	Triple; DH

Enthalpy of phase transition

ΔHtrs (kJ/mol)	Temperature (Grand)	Initial Phase	Terminal Phase	Reference	Comment
ii.282	89.813	crystaline, II	crystaline, I	Atake and Chihara, 1976	DH
2.857	89.87	crystaline, I	liquid	Witt and Kemp, 1937	DH
2.793	89.50	crystaline, I	liquid	Wiebe, Hubbard, et al., 1930	DH
2.4375	89.77	crystaline, II	crystaline, I	Roder, 1976	DH

Entropy of stage transition

ΔStrs (J/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
25.48	89.813	crystaline, Ii	crystaline, I	Atake and Chihara, 1976	DH
31.8	89.87	crystaline, I	liquid	Witt and Kemp, 1937	DH
31.two	89.l	crystaline, I	liquid	Wiebe, Hubbard, et al., 1930	DH
27.fifteen	89.77	crystaline, Two	crystaline, I	Roder, 1976	DH

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Reaction thermochemistry information

Go To: Superlative, Gas phase thermochemistry data, Condensed phase thermochemistry data, Stage modify data, Gas phase ion energetics data, References, Notes

Information compilation copyright past the U.S. Secretary of Commerce on behalf of the UsA. All rights reserved.

Data compiled as indicated in comments:
K - Michael M. Meot-Ner (Mautner) and Sharon Yard. Lias
MS - José A. Martinho Simões
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A full general reaction search form is also available. Future versions of this site may rely on reaction search pages in identify of the enumerated reaction displays seen below.

Individual Reactions

 + = (  • )

By formula: Co⁺  + C₂H₆ = ( Co⁺  • C₂H₆ )

Quantity	Value	Units	Method	Reference	Comment
ΔrS°	93.3	J/mol*Chiliad	SIDT	Kemper, Bushnell, et al., 1993	gas phase; switching reaction(Co+)CH4, ΔrS(500 K); M

Enthalpy of reaction

ΔrH° (kJ/mol)	T (1000)	Method	Reference	Comment
100. (+5.0,-0.)		CID	Armentrout and Kickel, 1994	gas stage; guided ion beam CID; G
117. (+6.vii,-0.)		SIDT	Kemper, Bushnell, et al., 1993	gas phase; switching reaction(Co+)CH4, ΔrSouthward(500 K); One thousand

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(  • )  + = (  •  • )

By formula: ( Co⁺  • CH_four )  + C₂H₆ = ( Co⁺  • C₂H₆  • CH₄ )

Quantity	Value	Units	Method	Reference	Comment
ΔrS°	108.	J/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas stage; switching reaction(Co+).2CH4, ΔrS(480 M); K

Enthalpy of reaction

ΔrH° (kJ/mol)	T (Thousand)	Method	Reference	Comment
119. (+five.4,-0.)		SIDT	Kemper, Bushnell, et al., 1993	gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M

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three  (one thousand)  +  (fifty) = AlH₃O₃  (amorphous)  + 3  (g)

By formula: 3 H_twoO  (thou)  + C₆H₁₅Al  (l) = AlH_iiiO₃  (amorphous)  + 3 C₂H₆  (yard)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-647.3 ± six.3	kJ/mol	RSC	Fowell, 1961	Please too see Cox and Pilcher, 1970. Liquid triethylaluminum contains a very small-scale molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, then that the "existent" liquid should be described as [Al(Et)3]two.; MS

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C_twoH₅ ^-  + =

By formula: C₂H_v ^-  + H⁺ = C₂H₆

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	1758. ± eight.4	kJ/mol	Bran	DePuy, Gronert, et al., 1989	gas phase; B
ΔrH°	1761. ± eight.four	kJ/mol	Bran	DePuy, Bierbaum, et al., 1984	gas phase; B
Quantity	Value	Units	Method	Reference	Annotate
ΔrGrand°	1723. ± 8.eight	kJ/mol	H-TS	DePuy, Gronert, et al., 1989	gas phase; B

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(  • )  + = (  •  • )

By formula: ( Co⁺  • C_twoH_vi )  + CH_four = ( Co⁺  • CH_iv  • C₂H₆ )

Quantity	Value	Units	Method	Reference	Comment
ΔrSouthward°	110.	J/mol*M	SIDT	Kemper, Bushnell, et al., 1993	gas phase; ΔrS(490 K); Grand

Enthalpy of reaction

ΔrH° (kJ/mol)	T (K)	Method	Reference	Comment
102. (+four.6,-0.)		SIDT	Kemper, Bushnell, et al., 1993	gas phase; ΔrS(490 One thousand); G

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 (g)  +  (cr) =  (1000)  +  (cr)

By formula: HBr  (g)  + C_iiH₅Li  (cr) = C_twoH₆  (g)  + BrLi  (cr)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-345.7 ± 2.0	kJ/mol	RSC	Holm, 1974	Please as well see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS

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C_fiveO₅Westward  (g)  +  (g) = C₇H_viO₅West  (thou)

By formula: C_vO₅W  (one thousand)  + C₂H₆  (yard) = C₇H_half-dozenO₅W  (g)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-31.0 ± 8.iv	kJ/mol	EqG	Brownish, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K; MS
ΔrH°	-41. ± 13.	kJ/mol	EqG	Ishikawa, Brown, et al., 1988	Temperature range: 298-363 K; MS

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 + = (  • )

Past formula: Fe⁺  + C_iiH₆ = ( Fe⁺  • C₂H₆ )

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	lxx. ± x.	kJ/mol	MKER	Carpenter, van Koppen, et al., 1995	gas phase; Yard

Enthalpy of reaction

ΔrH° (kJ/mol)	T (M)	Method	Reference	Annotate
64.0 (+5.9,-0.)		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID; M

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 + two =  + ii

By formula: C_iiH_fourCl_ii  + 2 H_two = C₂H_half-dozen  + 2 HCl

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-143.0 ± 0.96	kJ/mol	Chyd	Lacher, Amador, et al., 1967	gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -147.77 ± 0.l kJ/mol; At 250 C; ALS

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2  + =  + 2

By formula: ii H_two  + C₂H₄Cl_ii = C₂H₆  + ii HCl

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-140.viii ± one.0	kJ/mol	Chyd	Lacher, Amador, et al., 1967	gas phase; Reanalyzed by Cox and Pilcher, 1970, ii, Original value = -145.0 ± 0.fifty kJ/mol; At 250C; ALS

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2  + =

Past formula: 2 H₂  + C₂H_two = C_twoH₆

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-312.0 ± 0.63	kJ/mol	Chyd	Conn, Kistiakowsky, et al., 1939	gas phase; Reanalyzed by Cox and Pilcher, 1970, ii, Original value = -314.ane ± 2.8 kJ/mol; At 355 K; ALS

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 (l)  + (  • 100 )  (solution) = 2  (thou)  + (  • 100 )  (solution)

By formula: C₄H₁₀Zn  (l)  + ( H₂O_fourS  • 100 H_twoO )  (solution) = ii C_iiH_vi  (g)  + ( O_fourSZn  • 100 H₂O )  (solution)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-354.4 ± iv.2	kJ/mol	RSC	Carson, Hartley, et al., 1949	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS

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 + =

By formula: H_ii  + C₂H₄ = C₂H₆

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-136. ± two.	kJ/mol	Chyd	Kistiakowsky and Nickle, 1951	gas phase; ALS
ΔrH°	-136.three ± 0.iii	kJ/mol	Chyd	Kistiakowsky, Romeyn, et al., 1935	gas phase; ALS

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2  (chiliad)  +  (l) = AlCl₃  (cr)  + 2  (g)

Past formula: ii HCl  (g)  + C_ivH₁₀AlCl  (l) = AlCl₃  (cr)  + 2 C₂H_vi  (g)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-265.0 ± iii.three	kJ/mol	RSC	Shaulov and Shmyreva, 1968	The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS

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C_twoH_iv ⁺  + = ( C_twoH₄ ⁺  • )

Past formula: C_twoH_iv ⁺  + C_iiH₆ = ( C₂H_four ⁺  • C₂H₆ )

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	64.0	kJ/mol	PHPMS	Hiraoka and Kebarle, 1980	gas phase; One thousand
Quantity	Value	Units	Method	Reference	Comment
ΔrSouthward°	88.	J/mol*One thousand	PHPMS	Hiraoka and Kebarle, 1980	gas phase; G

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2  + =  +

Past formula: two H₂  + C₂H₃Cl = C₂H₆  + HCl

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-214.2 ± 0.8	kJ/mol	Chyd	Lacher, Emery, et al., 1956	gas stage; At 298 K, see Lacher, Kianpour, et al., 1956; ALS

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 (g)  + C_iiH₅BrMg  (solution) =  (solution)  + Br₂Mg  (solution)

By formula: HBr  (m)  + C₂H₅BrMg  (solution) = C₂H_{half dozen}  (solution)  + Br₂Mg  (solution)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-299.2 ± two.2	kJ/mol	RSC	Holm, 1981	solvent: Diethyl ether; MS

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(  • 2 )  + = (  • 3 )

Past formula: ( Co⁺  • two C₂H₆ )  + C₂H_six = ( Co⁺  • iii C₂H_{half dozen} )

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	50.	kJ/mol	SIDT	Kemper, Bushnell, et al., 1993	gas stage; ΔrH<; M

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 + = (  • )

By formula: Al⁺  + C₂H_half-dozen = ( Al⁺  • C₂H_{half dozen} )

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	38. ± 8.iv	kJ/mol	CIDC,EqG	Stockigt, Schwarz, et al., 1996	Anchored to theory; RCD

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two  + =  +

By formula: 2 H₂  + C₂H_iiiBr = HBr  + C_twoH₆

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-199.2 ± 1.9	kJ/mol	Chyd	Lacher, Kianpour, et al., 1957	gas phase; ALS

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 + 2 = 2  +

By formula: H_ii  + ii C_twoH₅I = ii C_twoH_half-dozen  + I₂

Quantity	Value	Units	Method	Reference	Annotate
ΔrH°	-88.seven ± three.3	kJ/mol	Chyd	Ashcroft, Carson, et al., 1965	liquid phase; ALS

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 + =  +

By formula: H₂  + C_iiH₅Br = HBr  + C₂H₆

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-59.0 ± 1.1	kJ/mol	Chyd	Fowell, Lacher, et al., 1965	gas phase; ALS

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 + 2 = 2  +

By formula: H₂  + 2 C₂H_fiveBr = two C₂H₆  + Br₂

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	23. ± 13.	kJ/mol	Chyd	Ashcroft, Carson, et al., 1965	liquid stage; ALS

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 + =  +

By formula: H₂  + C₂H₅Cl = C₂H₆  + HCl

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-69.iii ± 0.4	kJ/mol	Chyd	Lacher, Emery, et al., 1956	gas phase; ALS

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 + = (  • )

By formula: Ni⁺  + C_iiH_half-dozen = ( Ni⁺  • C₂H₆ )

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	120. ± 10.	kJ/mol	MKER	Carpenter, van Koppen, et al., 1995	gas phase; G

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Gas stage ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry information, Stage change data, Reaction thermochemistry information, References, Notes

Data compilation copyright by the U.Due south. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Information evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
50 - Sharon G. Lias

Data compiled as indicated in comments:
B - John East. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John East. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon Grand. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C_iiH₆ ⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	11.52 ± 0.04	eV	N/A	Due north/A	50
Quantity	Value	Units	Method	Reference	Annotate
Proton affinity (review)	596.iii	kJ/mol	Northward/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	569.9	kJ/mol	Northward/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
xi. ± i.	PI	Au, Cooper, et al., 1993	LL
11.52	EST	Luo and Pacey, 1992	LL
11.57	EI	Plessis and Marmet, 1987	LBLHLM
11.56 ± 0.02	EI	Plessis and Marmet, 1987, ii	LBLHLM
11.4 ± 0.4	EI	Chatham, Hils, et al., 1984	LBLHLM
11.5 ± 0.ane	EI	Suzuki and Maeda, 1977	LLK
11.56 ± 0.02	PE	Bieri, Burger, et al., 1977	LLK
eleven.76 ± 0.05	EI	Flesch and Svec, 1973	LLK
11.45 ± 0.05	TE	Stockbauer and Inghram, 1971	LLK
11.51	PE	Dewar and Worley, 1969	RDSH
eleven.66 ± 0.05	EI	Williams and Hamill, 1968	RDSH
eleven.55	CI	Cermak, 1968	RDSH
11.56	PE	Baker, Baker, et al., 1968	RDSH
eleven.521 ± 0.007	PI	Nicholson, 1965	RDSH
11.99	PE	Kimura, Katsumata, et al., 1981	Vertical value; LLK
12.0	PE	Bieri and Asbrink, 1980	Vertical value; LLK
12.i ± 0.1	PE	Bieri, Burger, et al., 1977	Vertical value; LLK
12.00	PE	Doucet, Sauvageau, et al., 1975	Vertical value; LLK

Advent energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C+	43. ± 1.	?	PI	Au, Cooper, et al., 1993	LL
C+	twenty.3 ± 0.2	CHiv+Htwo	EI	Plessis and Marmet, 1987, two	LBLHLM
C+	29.six ± 0.ii	?	EI	Suzuki and Maeda, 1977, 2	LLK
CH+	31. ± 1.	?	PI	Au, Cooper, et al., 1993	LL
CH+	twenty.ten ± 0.08	CH3+H2	EI	Plessis and Marmet, 1987, 2	LBLHLM
CH+	26.seven ± 0.v	?	EI	Suzuki and Maeda, 1977, 2	LLK
CHii +	25. ± one.	?	PI	Au, Cooper, et al., 1993	LL
CH2 +	14.69 ± 0.05	CH4	EI	Plessis and Marmet, 1987, 2	LBLHLM
CH2 +	17. ± 2.	?	EI	Chatham, Hils, et al., 1984	LBLHLM
CH2 +	17.three ± 0.xv	?	EI	Suzuki and Maeda, 1977, 2	LLK
CH3 +	14. ± 1.	CH3	PI	Au, Cooper, et al., 1993	LL
CH3 +	xiii.65 ± 0.04	CH3	EI	Plessis and Marmet, 1987, 2	LBLHLM
CHthree +	13.56 ± 0.04	CH3 -	EI	Plessis and Marmet, 1987, two	LBLHLM
CH3 +	14. ± ii.	CH3	EI	Chatham, Hils, et al., 1984	LBLHLM
CH3 +	14.ane ± 0.one	?	EI	Suzuki and Maeda, 1977, 2	LLK
CH3 +	13.46 ± 0.05	CHiii	EI	Williams and Hamill, 1968	RDSH
CH4 +	20.four ± 0.3	?	EI	Suzuki and Maeda, 1977, 2	LLK
C2 +	twoscore. ± 1.	?	PI	Au, Cooper, et al., 1993	LL
C2 +	22.9 ± 0.three	3H2	EI	Plessis and Marmet, 1987, 2	LBLHLM
C2 +	31.5 ± 0.2	?	EI	Suzuki and Maeda, 1977, ii	LLK
CiiH+	27. ± ane.	?	PI	Au, Cooper, et al., 1993	LL
C2H+	22.4 ± 0.3	2Htwo+H	EI	Plessis and Marmet, 1987, 2	LBLHLM
C2H+	25.6 ± 0.2	?	EI	Suzuki and Maeda, 1977, ii	LLK
C2H2 +	14. ± 1.	2Htwo	PI	Au, Cooper, et al., 1993	LL
CiiH2 +	14.51 ± 0.04	2H2	EI	Plessis and Marmet, 1987, 2	LBLHLM
C2Htwo +	15. ± ane.	?	EI	Chatham, Hils, et al., 1984	LBLHLM
CtwoHii +	xiv.7 ± 0.1	?	EI	Suzuki and Maeda, 1977, two	LLK
C2H2 +	fifteen.35 ± 0.50	2H2	EI	D'Or, Collin, et al., 1966	RDSH
C2H3 +	xiv. ± 1.	H2+H	PI	Au, Cooper, et al., 1993	LL
CiiH3 +	thirteen.76 ± 0.08	H2+H-	EI	Plessis and Marmet, 1987, 2	LBLHLM
C2H3 +	14.50 ± 0.04	H2+H	EI	Plessis and Marmet, 1987, ii	LBLHLM
CiiH3 +	14.five ± 0.4	H2+H	EI	Chatham, Hils, et al., 1984	LBLHLM
CiiHiii +	xiv.half-dozen ± 0.ane	H2+H	EI	Suzuki and Maeda, 1977, 2	LLK
C2H3 +	fifteen.22 ± 0.10	H2+H	EI	D'Or, Collin, et al., 1966	RDSH
C2H4 +	11. ± 1.	Htwo	PI	Au, Cooper, et al., 1993	LL
CiiH4 +	11.81 ± 0.05	H2	EI	Plessis and Marmet, 1987, 2	LBLHLM
CtwoHfour +	12.1 ± 0.4	H2	EI	Chatham, Hils, et al., 1984	LBLHLM
C2Hfour +	12.ane ± 0.1	Hii	PIPECO	Bombach, Dannacher, et al., 1984	T = 0K; LBLHLM
CiiH4 +	12.i ± 0.1	H2	EI	Suzuki and Maeda, 1977, 2	LLK
C2Hfour +	12.08 ± 0.03	Htwo	PI	Chupka and Berkowitz, 1967	RDSH
CiiH4 +	12.24 ± 0.10	H2	EI	D'Or, Collin, et al., 1966	RDSH
C2H5 +	12. ± one.	H	PI	Au, Cooper, et al., 1993	LL
C2H5 +	12.45 ± 0.008	H	EI	Plessis and Marmet, 1987, two	LBLHLM
CiiH5 +	12.1 ± 0.iv	H	EI	Chatham, Hils, et al., 1984	LBLHLM
C2Hfive +	12.4 ± 0.ane	H	PIPECO	Bombach, Dannacher, et al., 1984	T = 0K; LBLHLM
C2H5 +	12.40	H	PI	Traeger and McLoughlin, 1981	LLK
CtwoH5 +	12.0 ± 0.1	H	EI	Suzuki and Maeda, 1977, 2	LLK
CtwoH5 +	12.66 ± 0.05	H	EI	Williams and Hamill, 1968	RDSH
C2H5 +	12.00 ± 0.05	H-	PI	Chupka and Berkowitz, 1967	RDSH
CiiHfive +	12.65 ± 0.08	H	PI	Chupka and Berkowitz, 1967	RDSH
H+	21. ± 1.	?	PI	Au, Cooper, et al., 1993	LL
H+	23.five ± 0.5	?	EI	Suzuki and Maeda, 1977, 2	LLK
Htwo +	thirty. ± 1.	?	PI	Au, Cooper, et al., 1993	LL
Hii +	35.0 ± 0.5	?	EI	Suzuki and Maeda, 1977, ii	LLK
H2 +	31. ± 1.	C2H4 +?	EI	Newton, Sciamanna, et al., 1970	RDSH
Hiii +	33. ± i.	?	PI	Au, Cooper, et al., 1993	LL
H3 +	32. ± i.	?	EI	Fuchs, 1972	LLK

De-protonation reactions

C₂H_v ^-  + =

By formula: C₂H₅ ^-  + H⁺ = C₂H_vi

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	1758. ± viii.4	kJ/mol	Bran	DePuy, Gronert, et al., 1989	gas stage; B
ΔrH°	1761. ± 8.iv	kJ/mol	Bran	DePuy, Bierbaum, et al., 1984	gas stage; B
Quantity	Value	Units	Method	Reference	Annotate
ΔrYard°	1723. ± eight.8	kJ/mol	H-TS	DePuy, Gronert, et al., 1989	gas phase; B

---

References

Go To: Top, Gas phase thermochemistry data, Condensed stage thermochemistry information, Phase change data, Reaction thermochemistry information, Gas phase ion energetics information, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the United statesA. All rights reserved.

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D'Or, L.; Collin, J.E.; Longree, J., Ionisation et dissociation de 50'ethane sous 50'bear on electronique. Spectres de masse et phenomenes d'echange dans C_iiH_half-dozen, C₂H₅D, CH₃CD₃ et C₂D₆ , Bull. Classe Sci. Acad. Roy. Belg., 1966, 52, 518. [all information]

Bombach, Dannacher, et al., 1984
Bombach, R.; Dannacher, J.; Stadelmann, J.-P., The rate/energy functions for the competitive fragmentation processes of ethylene and ethane cations, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 217. [all data]

Chupka and Berkowitz, 1967
Chupka, W.A.; Berkowitz, J., Photoionization of ethane, propane, and north-butane with mass analysis, J. Chem. Phys., 1967, 47, 2921. [all information]

Traeger and McLoughlin, 1981
Traeger, J.C.; McLoughlin, R.Grand., Absolute heats of formation for gas phase cations, J. Am. Chem. Soc., 1981, 103, 3647. [all data]

Newton, Sciamanna, et al., 1970
Newton, A.S.; Sciamanna, A.F.; Thomas, G.E., The occurrence of the H₃ ⁺ ion in the mass spectra of organic compounds, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 465. [all data]

Fuchs, 1972
Fuchs, R., Die kinetische energie ionisierter molekulfragmente VII. H₃ ALS fragmention bei der elektronenstrossionisierung von kohlenwasserstoffen, Int. J. Mass Spectrom. Ion Processes, 1972, 8, 193. [all data]

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Stage change data, Reaction thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,gas	Constant pressure level heat capacity of gas
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  Ptriple	Triple point pressure
  S°liquid	Entropy of liquid at standard conditions
  T	Temperature
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) signal
  Ttriple	Triple point temperature
  Vc	Critical book
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔcH°gas	Enthalpy of combustion of gas at standard conditions
  ΔfH°gas	Enthalpy of germination of gas at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusSouthward	Entropy of fusion
  ΔrM°	Complimentary free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard weather condition
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard weather condition
  ΔvapS	Entropy of vaporization
  ρc	Disquisitional density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality re-create of the Database and to verify that the data contained therein accept been selected on the footing of sound scientific judgment. However, NIST makes no warranties to that consequence, and NIST shall not exist liable for whatsoever damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Information products.

Heat Of Combustion Of Ethane,

Source: https://webbook.nist.gov/cgi/cbook.cgi?ID=C74840&Mask=2F

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