Ethane
- Formula: C2H6
- Molecular weight: 30.0690
- IUPAC Standard InChIKey: OTMSDBZUPAUEDD-UHFFFAOYSA-N
- CAS Registry Number: 74-84-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Isotopologues:
- Other names: Bimethyl; Dimethyl; Ethyl hydride; Methylmethane; C2H6; UN 1035; UN 1961
- Information on this page:
- Other data available:
- Data at other public NIST sites:
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.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 | -20. ± 0.1 | kcal/mol | Review | Manion, 2002 | adopted recommendation of Gurvich, Veyts, et al., 1991; DRB |
ΔfH°gas | -20.04 ± 0.07 | kcal/mol | Ccb | Pittam and Pilcher, 1972 | ALS |
ΔfH°gas | -20.24 ± 0.12 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -373.01 ± 0.06 | kcal/mol | Ccb | Pittam and Pilcher, 1972 | Corresponding ΔfHºgas = -20.04 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -372.82 ± 0.11 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -20.23 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -372.81 ± 0.11 | kcal/mol | Ccb | Rossini, 1934 | Corresponding ΔfHºgas = -20.24 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.533 | 100. | Gurvich, Veyts, et al., 1989 | p=1 bar. Recommended entropies and heat capacities are in good agreement with those obtained from other statistical thermodynamic calculations [ Pitzer K.S., 1944, Chao J., 1973, Pamidimukkala K.M., 1982].; GT |
10.11 | 200. | ||
12.55 | 298.15 | ||
12.60 | 300. | ||
15.65 | 400. | ||
18.63 | 500. | ||
21.32 | 600. | ||
23.70 | 700. | ||
25.798 | 800. | ||
27.655 | 900. | ||
29.290 | 1000. | ||
30.724 | 1100. | ||
31.979 | 1200. | ||
33.076 | 1300. | ||
34.034 | 1400. | ||
34.871 | 1500. | ||
35.607 | 1600. | ||
36.250 | 1700. | ||
36.816 | 1800. | ||
37.318 | 1900. | ||
37.763 | 2000. | ||
38.157 | 2100. | ||
38.509 | 2200. | ||
38.822 | 2300. | ||
39.104 | 2400. | ||
39.357 | 2500. | ||
39.587 | 2600. | ||
39.792 | 2700. | ||
39.981 | 2800. | ||
40.153 | 2900. | ||
40.308 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.957 ± 0.074 | 189.20 | Halford J.O., 1957 | Please also see Eucken A., 1933, Kistiakowsky G.B., 1939, Dailey B.P., 1943.; GT |
10.34 ± 0.076 | 209.30 | ||
10.77 ± 0.081 | 229.65 | ||
11.30 ± 0.084 | 249.90 | ||
11.27 ± 0.084 | 250.15 | ||
11.87 ± 0.088 | 272.00 | ||
11.83 ± 0.01 | 272.07 | ||
12.11 ± 0.10 | 279.00 | ||
12.46 ± 0.093 | 292.00 | ||
12.73 ± 0.02 | 302.70 | ||
13.72 ± 0.01 | 335.82 | ||
14.08 | 347.65 | ||
14.43 | 359.75 | ||
14.59 ± 0.024 | 364.78 | ||
14.84 ± 0.11 | 373.60 | ||
15.27 | 387.55 | ||
17.31 | 451.95 | ||
19.14 | 520.55 | ||
20.62 | 561.65 | ||
21.62 | 603.25 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. 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 director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 184.6 ± 0.6 | K | AVG | N/A | Average of 23 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 101. | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 89.2 | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 91. ± 6. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.000011 | atm | N/A | Younglove and Ely, 1987 | Uncertainty assigned by TRC = 5.×10-9 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 305.3 ± 0.3 | K | AVG | N/A | Average of 41 out of 46 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 49. ± 1. | atm | AVG | N/A | Average of 28 out of 29 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.147 ± 0.002 | l/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 6.9 ± 0.4 | mol/l | AVG | N/A | Average of 19 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 2.33 | kcal/mol | N/A | Majer and Svoboda, 1985 |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5141 | 184.1 | N/A | Witt and Kemp, 1937 | DH |
3.66 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 305. K.; AC |
3.75 | 170. | A | Stephenson and Malanowski, 1987 | Based on data from 154. to 185. K.; AC |
4.23 | 114. | A | Stephenson and Malanowski, 1987 | Based on data from 95. to 129. K.; AC |
3.56 | 214. | A | Stephenson and Malanowski, 1987 | Based on data from 185. to 229. K.; AC |
3.56 | 259. | A | Stephenson and Malanowski, 1987 | Based on data from 228. to 274. K.; AC |
4.09 | 129. | N/A | Carruth and Kobayashi, 1973 | Based on data from 91. to 144. K.; AC |
3.51 | 210. | N/A | Reid, 1972 | AC |
3.51 | 184. | N/A | Witt and Kemp, 1937 | AC |
3.66 | 185. | N/A | Loomis and Walters, 1926 | Based on data from 136. to 200. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference |
---|---|---|---|---|
289. to 301. | 7.034 | 0.3696 | 305.4 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.09 | 184.1 | Witt and Kemp, 1937 | DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
91.33 to 144.13 | 4.50135 | 791.3 | -6.422 | Carruth and Kobayashi, 1973 | Coefficents calculated by NIST from author's data. |
135.74 to 199.91 | 3.93264 | 659.739 | -16.719 | Loomis and Walters, 1926 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.40 | 85. | N/A | Regnier, 1972 | Based on data from 80. to 90. K.; AC |
4.90 | 90. | B | Bondi, 1963 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.139 | 90.341 | Atake and Chihara, 1976 | Triple point.; DH |
0.667 | 89.5 | Domalski and Hearing, 1996 | AC |
0.14 | 90.3 | Atake and Chihara, 1976 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.54 | 90.341 | Atake and Chihara, 1976 | Triple; DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.5454 | 89.813 | crystaline, II | crystaline, I | Atake and Chihara, 1976 | DH |
0.6828 | 89.87 | crystaline, I | liquid | Witt and Kemp, 1937 | DH |
0.6675 | 89.50 | crystaline, I | liquid | Wiebe, Hubbard, et al., 1930 | DH |
0.58258 | 89.77 | crystaline, II | crystaline, I | Roder, 1976 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.090 | 89.813 | crystaline, II | crystaline, I | Atake and Chihara, 1976 | DH |
7.60 | 89.87 | crystaline, I | liquid | Witt and Kemp, 1937 | DH |
7.46 | 89.50 | crystaline, I | liquid | Wiebe, Hubbard, et al., 1930 | DH |
6.489 | 89.77 | crystaline, II | crystaline, I | Roder, 1976 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. 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 general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: Co+ + C2H6 = (Co+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 22.3 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+)CH4, ΔrS(500 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.9 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
28.0 (+1.6,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+)CH4, ΔrS(500 K); M |
By formula: (Co+ • CH4) + C2H6 = (Co+ • C2H6 • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 25.9 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.4 (+1.3,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
3 (g) +
(l) = AlH3O3 (amorphous) + 3
(g)
By formula: 3H2O (g) + C6H15Al (l) = AlH3O3 (amorphous) + 3C2H6 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -154.7 ± 1.5 | kcal/mol | RSC | Fowell, 1961 | Please also see Cox and Pilcher, 1970. Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.; MS |
C2H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 420.1 ± 2.0 | kcal/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 421.0 ± 2.0 | kcal/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 411.7 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: (Co+ • C2H6) + CH4 = (Co+ • CH4 • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 26.4 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
24.4 (+1.1,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
By formula: HBr (g) + C2H5Li (cr) = C2H6 (g) + BrLi (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -82.62 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also 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 |
By formula: C5O5W (g) + C2H6 (g) = C7H6O5W (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.4 ± 2.0 | kcal/mol | EqG | Brown, Ishikawa, et al., 1990 | Temperature range: ca. 300-350 K; MS |
ΔrH° | -9.7 ± 3.0 | kcal/mol | EqG | Ishikawa, Brown, et al., 1988 | Temperature range: 298-363 K; MS |
By formula: Fe+ + C2H6 = (Fe+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. ± 3. | kcal/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.3 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -34.18 ± 0.23 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -35.32 ± 0.12 kcal/mol; At 250 C; ALS |
By formula: 2H2 + C2H4Cl2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.66 ± 0.25 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -34.65 ± 0.12 kcal/mol; At 250C; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -74.58 ± 0.15 | kcal/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -75.06 ± 0.66 kcal/mol; At 355 K; ALS |
(l) + (
• 100
) (solution) = 2
(g) + (
• 100
) (solution)
By formula: C4H10Zn (l) + (H2O4S • 100H2O) (solution) = 2C2H6 (g) + (O4SZn • 100H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -84.7 ± 1.0 | kcal/mol | RSC | Carson, Hartley, et al., 1949 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -32.6 ± 0.5 | kcal/mol | Chyd | Kistiakowsky and Nickle, 1951 | gas phase; ALS |
ΔrH° | -32.58 ± 0.06 | kcal/mol | Chyd | Kistiakowsky, Romeyn, et al., 1935 | gas phase; ALS |
2 (g) +
(l) = AlCl3 (cr) + 2
(g)
By formula: 2HCl (g) + C4H10AlCl (l) = AlCl3 (cr) + 2C2H6 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.34 ± 0.79 | kcal/mol | RSC | Shaulov and Shmyreva, 1968 | The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS |
By formula: C2H4+ + C2H6 = (C2H4+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1980 | gas phase; M |
By formula: 2H2 + C2H3Cl = C2H6 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -51.2 ± 0.2 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | gas phase; At 298 K, see Lacher, Kianpour, et al., 1956; ALS |
(g) + C2H5BrMg (solution) =
(solution) + Br2Mg (solution)
By formula: HBr (g) + C2H5BrMg (solution) = C2H6 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -71.51 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
By formula: (Co+ • 2C2H6) + C2H6 = (Co+ • 3C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH<; M |
By formula: Al+ + C2H6 = (Al+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 ± 2.0 | kcal/mol | CIDC,EqG | Stockigt, Schwarz, et al., 1996 | Anchored to theory; RCD |
By formula: 2H2 + C2H3Br = HBr + C2H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -47.61 ± 0.46 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1957 | gas phase; ALS |
By formula: H2 + 2C2H5I = 2C2H6 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -21.2 ± 0.80 | kcal/mol | Chyd | Ashcroft, Carson, et al., 1965 | liquid phase; ALS |
By formula: H2 + C2H5Br = HBr + C2H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.11 ± 0.27 | kcal/mol | Chyd | Fowell, Lacher, et al., 1965 | gas phase; ALS |
By formula: H2 + 2C2H5Br = 2C2H6 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.6 ± 3.0 | kcal/mol | Chyd | Ashcroft, Carson, et al., 1965 | liquid phase; ALS |
By formula: H2 + C2H5Cl = C2H6 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.6 ± 0.1 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | gas phase; ALS |
By formula: Ni+ + C2H6 = (Ni+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29. ± 3. | kcal/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; M |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. 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 C2H6+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.52 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 142.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 136.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11. ± 1. | 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, 2 | LBLHLM |
11.4 ± 0.4 | EI | Chatham, Hils, et al., 1984 | LBLHLM |
11.5 ± 0.1 | EI | Suzuki and Maeda, 1977 | LLK |
11.56 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
11.76 ± 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 |
11.66 ± 0.05 | EI | Williams and Hamill, 1968 | RDSH |
11.55 | CI | Cermak, 1968 | RDSH |
11.56 | PE | Baker, Baker, et al., 1968 | RDSH |
11.521 ± 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 |
12.1 ± 0.1 | PE | Bieri, Burger, et al., 1977 | Vertical value; LLK |
12.00 | PE | Doucet, Sauvageau, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
De-protonation reactions
C2H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 420.1 ± 2.0 | kcal/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 421.0 ± 2.0 | kcal/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 411.7 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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NIST MS number | 23 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: D3d Symmetry Number σ = 6
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1g | 1 | CH3 s-str | 2954 | B | ia | 2953.7 | gas | |||
a1g | 2 | CH3 s-deform | 1388 | B | ia | 1388.4 | gas | |||
a1g | 3 | CC str | 995 | A | ia | 994.8 | gas | |||
a1u | 4 | Torsion | 289 | B | 289 | gas | ia | |||
a2u | 5 | CH3 s-str | 2896 | B | 2895.8 | gas | ia | |||
a2u | 6 | CH3 s-deform | 1379 | A | 1379.2 | gas | ia | |||
eg | 7 | CH3 d-str | 2969 | A | ia | 2968.7 | gas | |||
eg | 8 | CH3 d-deform | 1468 | A | ia | 1468.1 | gas | |||
eg | 9 | CH3 rock | 1190 | E | ia | OC | ||||
eu | 10 | CH3 d-str | 2985 | A | 2985.4 | gas | ia | |||
eu | 11 | CH3 d-deform | 1469 | C | 1469 | gas | ia | FR(ν4+ν12) | ||
eu | 12 | CH3 rock | 822 | A | 821.6 | gas | ia | |||
Source: Shimanouchi, 1972
Notes
ia | Inactive |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Manion, 2002
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Rossini, 1934
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Thermodynamics of gaseous paraffins. Specific heat and related properties,
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Roder, 1976
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The heats of transition of solid ethane,
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Binding Energies of Co+(H2/CH4/C2H6)1,2,3 Clusters,
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Fowell, 1961
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Cox and Pilcher, 1970
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Smith, 1967
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DePuy, Bierbaum, et al., 1984
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Pedley and Rylance, 1977
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Carpenter, van Koppen, et al., 1995
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Lacher, Amador, et al., 1967
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Cox and Pilcher, 1970, 2
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Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes,
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Carson, Hartley, et al., 1949
Carson, A.S.; Hartley, K.; Skinner, H.A.,
Thermochemistry of metal alkyls. Part II.?The bond dissociation energies of some Zn?C and Cd?C bonds, and of Et?I.,
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Kistiakowsky and Nickle, 1951
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Ethane-ethylene and propane-propylene equilibria,
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Kistiakowsky, Romeyn, et al., 1935
Kistiakowsky, G.B.; Romeyn, H., Jr.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of organic reactions. I. The apparatus and the heat of hydrogenation of ethylene,
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Russ. J. Phys. Chem., 1968, 42, 1008. [all data]
Hiraoka and Kebarle, 1980
Hiraoka, K.; Kebarle, P.,
Ion Molecule Reactions in Ethane. Thermochemistry and Structures of the Intermediate Complexes: C4H11+ and C4H10+ Formed in the Reactions of C2H5+ and C2H4+ with C2H6,
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Lacher, Emery, et al., 1956
Lacher, J.R.; Emery, E.; Bohmfalk, E.; Park, J.D.,
Reaction heats of organic compounds. IV. A high temperature calorimeter and the hydrogenation of methyl ethyl and vinyl chlorides,
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Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Oetting, F.; Park, J.D.,
Reaction calorimetry. The hydrogenation of organic fluorides and chlorides,
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Holm, 1981
Holm, T.,
J. Chem. Soc., Perkin Trans. II, 1981, 464.. [all data]
Stockigt, Schwarz, et al., 1996
Stockigt, D.; Schwarz, J.; Schwarz, H.,
Theoretical and Experimental Studies on the Bond Dissociation Energies of Al(methane)+, Al(acetylene)+, Al(ethene)+, and Al(ethane)+,
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Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Montgomery, P.; Knedler, H.; Park, J.D.,
Reaction heats of organic halogen compounds. IX. The catalytic hydrogenation of vinyl and perfluorovinyl bromide,
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Ashcroft, Carson, et al., 1965
Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G.,
Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide,
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Fowell, Lacher, et al., 1965
Fowell, P.; Lacher, J.R.; Park, J.D.,
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Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Au, Cooper, et al., 1993
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Luo, Y.-R.; Pacey, P.D.,
Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes,
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Ionization efficiency curves of ethane by electron impact,
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Valence ionization enrgies of hydrocarbons,
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Fragmentation reactions in the mass spectrometer for C2-C5 alkanes,
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Cermak, 1968
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Penning ionization electron spectroscopy,
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Fuchs, R.,
Die kinetische energie ionisierter molekulfragmente VII. H3 ALS fragmention bei der elektronenstrossionisierung von kohlenwasserstoffen,
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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