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Ethane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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
Deltafgas-84. ± 0.4kJ/molReviewManion, 2002adopted recommendation of Gurvich, Veyts, et al., 1991; DRB
Deltafgas-83.8 ± 0.3kJ/molCcbPittam and Pilcher, 1972ALS
Deltafgas-84.67 ± 0.49kJ/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; ALS
Quantity Value Units Method Reference Comment
Deltacgas-1560.7 ± 0.3kJ/molCcbPittam and Pilcher, 1972Corresponding «DELTA»fgas = -83.85 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-1559.9 ± 0.46kJ/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; Corresponding «DELTA»fgas = -84.64 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-1559.8 ± 0.46kJ/molCcbRossini, 1934Corresponding «DELTA»fgas = -84.68 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
35.70100.Gurvich, Veyts, et al., 1989p=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
42.30200.
52.49298.15
52.71300.
65.46400.
77.94500.
89.19600.
99.14700.
107.94800.
115.71900.
122.551000.
128.551100.
133.801200.
138.391300.
142.401400.
145.901500.
148.981600.
151.671700.
154.041800.
156.141900.
158.002000.
159.652100.
161.122200.
162.432300.
163.612400.
164.672500.
165.632600.
166.492700.
167.282800.
168.002900.
168.653000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
41.66 ± 0.31189.20Halford J.O., 1957Please also see Eucken A., 1933, Kistiakowsky G.B., 1939, Dailey B.P., 1943.; GT
43.25 ± 0.32209.30
45.08 ± 0.34229.65
47.27 ± 0.35249.90
47.17 ± 0.35250.15
49.68 ± 0.37272.00
49.51 ± 0.04272.07
50.66 ± 0.42279.00
52.14 ± 0.39292.00
53.27 ± 0.07302.70
57.40 ± 0.04335.82
58.91347.65
60.38359.75
61.04 ± 0.10364.78
62.10 ± 0.47373.60
63.89387.55
72.43451.95
80.08520.55
86.27561.65
90.46603.25

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid126.7J/mol*KN/AWitt and Kemp, 1937Entropy from 0 to 15 K calculated using a Debye function.

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
68.66100.Atake and Chihara, 1976T = 50 to 100 K. Data given graphically. Cp = 0.69933 (T/K) - 2.385 J/mol*K (50 to 70 K, for solid).
68.594.Roder, 1976From data 90.3 to 94 K. Average value over range.
68.44100.32Roder, 1976, 2T = 93 to 301 K (saturation line), 91 to 330 K, pressures from 0 to 33 MPa.
72.22180.Witt and Kemp, 1937T = 15 to 185 K.
74.48200.Wiebe, Hubbard, et al., 1930T = 67 to 305.2 K. Heat capacity of saturated liquid given to 295 K is 136.1 J/mol*K.

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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
Tboil184.6 ± 0.6KAVGN/AAverage of 23 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus101.KN/AStreng, 1971Uncertainty assigned by TRC = 1. K; TRC
Tfus89.2KN/ATimmermans, 1935Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple91. ± 6.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ptriple0.000011barN/AYounglove and Ely, 1987Uncertainty assigned by TRC = 5.×10-9 bar; TRC
Quantity Value Units Method Reference Comment
Tc305.3 ± 0.3KAVGN/AAverage of 41 out of 46 values; Individual data points
Quantity Value Units Method Reference Comment
Pc49. ± 1.barAVGN/AAverage of 28 out of 29 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.147 ± 0.002l/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
rhoc6.9 ± 0.4mol/lAVGN/AAverage of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap9.76kJ/molN/AMajer and Svoboda, 1985 

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
14.703184.1N/AWitt and Kemp, 1937DH
15.3288.AStephenson and Malanowski, 1987Based on data from 273. - 305. K.; AC
15.7170.AStephenson and Malanowski, 1987Based on data from 154. - 185. K.; AC
17.7114.AStephenson and Malanowski, 1987Based on data from 95. - 129. K.; AC
14.9214.AStephenson and Malanowski, 1987Based on data from 185. - 229. K.; AC
14.9259.AStephenson and Malanowski, 1987Based on data from 228. - 274. K.; AC
17.1129.N/ACarruth and Kobayashi, 1973Based on data from 91. - 144. K.; AC
14.7210.N/AReid, 1972AC
14.7184.N/AWitt and Kemp, 1937AC
15.3185.N/ALoomis and Walters, 1926Based on data from 136. - 200. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference
289. - 301.29.430.3696305.4Majer and Svoboda, 1985

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
79.87184.1Witt and Kemp, 1937DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
91.33 - 144.134.50706791.3-6.422Carruth and Kobayashi, 1973Coefficents calculated by NIST from author's data.
135.74 - 199.913.93835659.739-16.719Loomis and Walters, 1926Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
22.685.N/ARegnier, 1972Based on data from 80. - 90. K.; AC
20.590.BBondi, 1963AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
0.58390.341Atake and Chihara, 1976Triple point.; DH
2.7989.5Domalski and Hearing, 1996AC
0.5890.3Atake and Chihara, 1976AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
6.4690.341Atake and Chihara, 1976Triple; DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.28289.813crystaline, IIcrystaline, IAtake and Chihara, 1976DH
2.85789.87crystaline, IliquidWitt and Kemp, 1937DH
2.79389.50crystaline, IliquidWiebe, Hubbard, et al., 1930DH
2.437589.77crystaline, IIcrystaline, IRoder, 1976DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
25.4889.813crystaline, IIcrystaline, IAtake and Chihara, 1976DH
31.889.87crystaline, IliquidWitt and Kemp, 1937DH
31.289.50crystaline, IliquidWiebe, Hubbard, et al., 1930DH
27.1589.77crystaline, IIcrystaline, IRoder, 1976DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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

Cobalt ion (1+) + Ethane = (Cobalt ion (1+) bullet Ethane)

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

Quantity Value Units Method Reference Comment
Deltar93.3J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+)CH4, «DELTA»rS(500 K); M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
100. (+5.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M
117. (+6.7,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+)CH4, «DELTA»rS(500 K); M

(Cobalt ion (1+) bullet Methane) + Ethane = (Cobalt ion (1+) bullet Ethane bullet Methane)

By formula: (Co+ bullet CH4) + C2H6 = (Co+ bullet C2H6 bullet CH4)

Quantity Value Units Method Reference Comment
Deltar108.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+).2CH4, «DELTA»rS(480 K); M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
119. (+5.4,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+).2CH4, «DELTA»rS(480 K); M

3Water (g) + Aluminum, triethyl- (l) = AlH3O3 (amorphous) + 3Ethane (g)

By formula: 3H2O (g) + C6H15Al (l) = AlH3O3 (amorphous) + 3C2H6 (g)

Quantity Value Units Method Reference Comment
Deltar-647.3 ± 6.3kJ/molRSCFowell, 1961Please 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- + Hydrogen cation = Ethane

By formula: C2H5- + H+ = C2H6

Quantity Value Units Method Reference Comment
Deltar1758. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Deltar1761. ± 8.4kJ/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
Deltar1723. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B

(Cobalt ion (1+) bullet Ethane) + Methane = (Cobalt ion (1+) bullet Methane bullet Ethane)

By formula: (Co+ bullet C2H6) + CH4 = (Co+ bullet CH4 bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar110.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; «DELTA»rS(490 K); M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
102. (+4.6,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; «DELTA»rS(490 K); M

Hydrogen bromide (g) + ethyllithium (cr) = Ethane (g) + Lithium bromide (cr)

By formula: HBr (g) + C2H5Li (cr) = C2H6 (g) + BrLi (cr)

Quantity Value Units Method Reference Comment
Deltar-345.7 ± 2.0kJ/molRSCHolm, 1974Please 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

C5O5W (g) + Ethane (g) = C7H6O5W (g)

By formula: C5O5W (g) + C2H6 (g) = C7H6O5W (g)

Quantity Value Units Method Reference Comment
Deltar-31.0 ± 8.4kJ/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS
Deltar-41. ± 13.kJ/molEqGIshikawa, Brown, et al., 1988Temperature range: 298-363 K; MS

Iron ion (1+) + Ethane = (Iron ion (1+) bullet Ethane)

By formula: Fe+ + C2H6 = (Fe+ bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar70. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
64.0 (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Ethane, 1,2-dichloro- + 2Hydrogen = Ethane + 2Hydrogen chloride

By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl

Quantity Value Units Method Reference Comment
Deltar-143.0 ± 0.96kJ/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -147.77 ± 0.50 kJ/mol; At 250 C; ALS

2Hydrogen + Ethane, 1,1-dichloro- = Ethane + 2Hydrogen chloride

By formula: 2H2 + C2H4Cl2 = C2H6 + 2HCl

Quantity Value Units Method Reference Comment
Deltar-140.8 ± 1.0kJ/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -145.0 ± 0.50 kJ/mol; At 250C; ALS

2Hydrogen + Acetylene = Ethane

By formula: 2H2 + C2H2 = C2H6

Quantity Value Units Method Reference Comment
Deltar-312.0 ± 0.63kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -314.1 ± 2.8 kJ/mol; At 355 K; ALS

Diethylzinc (l) + (Sulfuric Acid bullet 100Water) (solution) = 2Ethane (g) + (zinc sulphate bullet 100Water) (solution)

By formula: C4H10Zn (l) + (H2O4S bullet 100H2O) (solution) = 2C2H6 (g) + (O4SZn bullet 100H2O) (solution)

Quantity Value Units Method Reference Comment
Deltar-354.4 ± 4.2kJ/molRSCCarson, Hartley, et al., 1949Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS

Hydrogen + Ethylene = Ethane

By formula: H2 + C2H4 = C2H6

Quantity Value Units Method Reference Comment
Deltar-136. ± 2.kJ/molChydKistiakowsky and Nickle, 1951gas phase; ALS
Deltar-136.3 ± 0.3kJ/molChydKistiakowsky, Romeyn, et al., 1935gas phase; ALS

2Hydrogen chloride (g) + Aluminum, chlorodiethyl- (l) = AlCl3 (cr) + 2Ethane (g)

By formula: 2HCl (g) + C4H10AlCl (l) = AlCl3 (cr) + 2C2H6 (g)

Quantity Value Units Method Reference Comment
Deltar-265.0 ± 3.3kJ/molRSCShaulov and Shmyreva, 1968The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS

C2H4+ + Ethane = (C2H4+ bullet Ethane)

By formula: C2H4+ + C2H6 = (C2H4+ bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar64.0kJ/molPHPMSHiraoka and Kebarle, 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar88.J/mol*KPHPMSHiraoka and Kebarle, 1980gas phase; M

2Hydrogen + Ethene, chloro- = Ethane + Hydrogen chloride

By formula: 2H2 + C2H3Cl = C2H6 + HCl

Quantity Value Units Method Reference Comment
Deltar-214.2 ± 0.8kJ/molChydLacher, Emery, et al., 1956gas phase; At 298 K, see Lacher, Kianpour, et al., 1956; ALS

Hydrogen bromide (g) + C2H5BrMg (solution) = Ethane (solution) + Br2Mg (solution)

By formula: HBr (g) + C2H5BrMg (solution) = C2H6 (solution) + Br2Mg (solution)

Quantity Value Units Method Reference Comment
Deltar-299.2 ± 2.2kJ/molRSCHolm, 1981solvent: Diethyl ether; MS

(Cobalt ion (1+) bullet 2Ethane) + Ethane = (Cobalt ion (1+) bullet 3Ethane)

By formula: (Co+ bullet 2C2H6) + C2H6 = (Co+ bullet 3C2H6)

Quantity Value Units Method Reference Comment
Deltar50.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; «DELTA»rH<; M

Aluminum ion (1+) + Ethane = (Aluminum ion (1+) bullet Ethane)

By formula: Al+ + C2H6 = (Al+ bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar38. ± 8.4kJ/molCIDC,EqGStockigt, Schwarz, et al., 1996Anchored to theory; RCD

2Hydrogen + Vinyl bromide = Hydrogen bromide + Ethane

By formula: 2H2 + C2H3Br = HBr + C2H6

Quantity Value Units Method Reference Comment
Deltar-199.2 ± 1.9kJ/molChydLacher, Kianpour, et al., 1957gas phase; ALS

Hydrogen + 2Ethane, iodo- = 2Ethane + Iodine

By formula: H2 + 2C2H5I = 2C2H6 + I2

Quantity Value Units Method Reference Comment
Deltar-88.7 ± 3.3kJ/molChydAshcroft, Carson, et al., 1965liquid phase; ALS

Hydrogen + Ethyl bromide = Hydrogen bromide + Ethane

By formula: H2 + C2H5Br = HBr + C2H6

Quantity Value Units Method Reference Comment
Deltar-59.0 ± 1.1kJ/molChydFowell, Lacher, et al., 1965gas phase; ALS

Hydrogen + 2Ethyl bromide = 2Ethane + Bromine

By formula: H2 + 2C2H5Br = 2C2H6 + Br2

Quantity Value Units Method Reference Comment
Deltar23. ± 13.kJ/molChydAshcroft, Carson, et al., 1965liquid phase; ALS

Hydrogen + Ethyl Chloride = Ethane + Hydrogen chloride

By formula: H2 + C2H5Cl = C2H6 + HCl

Quantity Value Units Method Reference Comment
Deltar-69.3 ± 0.4kJ/molChydLacher, Emery, et al., 1956gas phase; ALS

Nickel ion (1+) + Ethane = (Nickel ion (1+) bullet Ethane)

By formula: Ni+ + C2H6 = (Ni+ bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar120. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; M

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00192300.LN/A 
0.0020 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0020 LN/A 
0.00182400.LN/A 
0.0020 VN/A 
0.011 VN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering 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 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)596.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity569.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11. ± 1.PIAu, Cooper, et al., 1993LL
11.52ESTLuo and Pacey, 1992LL
11.57EIPlessis and Marmet, 1987LBLHLM
11.56 ± 0.02EIPlessis and Marmet, 1987, 2LBLHLM
11.4 ± 0.4EIChatham, Hils, et al., 1984LBLHLM
11.5 ± 0.1EISuzuki and Maeda, 1977LLK
11.56 ± 0.02PEBieri, Burger, et al., 1977LLK
11.76 ± 0.05EIFlesch and Svec, 1973LLK
11.45 ± 0.05TEStockbauer and Inghram, 1971LLK
11.51PEDewar and Worley, 1969RDSH
11.66 ± 0.05EIWilliams and Hamill, 1968RDSH
11.55CICermak, 1968RDSH
11.56PEBaker, Baker, et al., 1968RDSH
11.521 ± 0.007PINicholson, 1965RDSH
11.99PEKimura, Katsumata, et al., 1981Vertical value; LLK
12.0PEBieri and Asbrink, 1980Vertical value; LLK
12.1 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK
12.00PEDoucet, Sauvageau, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+43. ± 1.?PIAu, Cooper, et al., 1993LL
C+20.3 ± 0.2CH4+H2EIPlessis and Marmet, 1987, 2LBLHLM
C+29.6 ± 0.2?EISuzuki and Maeda, 1977, 2LLK
CH+31. ± 1.?PIAu, Cooper, et al., 1993LL
CH+20.10 ± 0.08CH3+H2EIPlessis and Marmet, 1987, 2LBLHLM
CH+26.7 ± 0.5?EISuzuki and Maeda, 1977, 2LLK
CH2+25. ± 1.?PIAu, Cooper, et al., 1993LL
CH2+14.69 ± 0.05CH4EIPlessis and Marmet, 1987, 2LBLHLM
CH2+17. ± 2.?EIChatham, Hils, et al., 1984LBLHLM
CH2+17.3 ± 0.15?EISuzuki and Maeda, 1977, 2LLK
CH3+14. ± 1.CH3PIAu, Cooper, et al., 1993LL
CH3+13.65 ± 0.04CH3EIPlessis and Marmet, 1987, 2LBLHLM
CH3+13.56 ± 0.04CH3-EIPlessis and Marmet, 1987, 2LBLHLM
CH3+14. ± 2.CH3EIChatham, Hils, et al., 1984LBLHLM
CH3+14.1 ± 0.1?EISuzuki and Maeda, 1977, 2LLK
CH3+13.46 ± 0.05CH3EIWilliams and Hamill, 1968RDSH
CH4+20.4 ± 0.3?EISuzuki and Maeda, 1977, 2LLK
C2+40. ± 1.?PIAu, Cooper, et al., 1993LL
C2+22.9 ± 0.33H2EIPlessis and Marmet, 1987, 2LBLHLM
C2+31.5 ± 0.2?EISuzuki and Maeda, 1977, 2LLK
C2H+27. ± 1.?PIAu, Cooper, et al., 1993LL
C2H+22.4 ± 0.32H2+HEIPlessis and Marmet, 1987, 2LBLHLM
C2H+25.6 ± 0.2?EISuzuki and Maeda, 1977, 2LLK
C2H2+14. ± 1.2H2PIAu, Cooper, et al., 1993LL
C2H2+14.51 ± 0.042H2EIPlessis and Marmet, 1987, 2LBLHLM
C2H2+15. ± 1.?EIChatham, Hils, et al., 1984LBLHLM
C2H2+14.7 ± 0.1?EISuzuki and Maeda, 1977, 2LLK
C2H2+15.35 ± 0.502H2EID'Or, Collin, et al., 1966RDSH
C2H3+14. ± 1.H2+HPIAu, Cooper, et al., 1993LL
C2H3+13.76 ± 0.08H2+H-EIPlessis and Marmet, 1987, 2LBLHLM
C2H3+14.50 ± 0.04H2+HEIPlessis and Marmet, 1987, 2LBLHLM
C2H3+14.5 ± 0.4H2+HEIChatham, Hils, et al., 1984LBLHLM
C2H3+14.6 ± 0.1H2+HEISuzuki and Maeda, 1977, 2LLK
C2H3+15.22 ± 0.10H2+HEID'Or, Collin, et al., 1966RDSH
C2H4+11. ± 1.H2PIAu, Cooper, et al., 1993LL
C2H4+11.81 ± 0.05H2EIPlessis and Marmet, 1987, 2LBLHLM
C2H4+12.1 ± 0.4H2EIChatham, Hils, et al., 1984LBLHLM
C2H4+12.1 ± 0.1H2PIPECOBombach, Dannacher, et al., 1984T = 0K; LBLHLM
C2H4+12.1 ± 0.1H2EISuzuki and Maeda, 1977, 2LLK
C2H4+12.08 ± 0.03H2PIChupka and Berkowitz, 1967RDSH
C2H4+12.24 ± 0.10H2EID'Or, Collin, et al., 1966RDSH
C2H5+12. ± 1.HPIAu, Cooper, et al., 1993LL
C2H5+12.45 ± 0.008HEIPlessis and Marmet, 1987, 2LBLHLM
C2H5+12.1 ± 0.4HEIChatham, Hils, et al., 1984LBLHLM
C2H5+12.4 ± 0.1HPIPECOBombach, Dannacher, et al., 1984T = 0K; LBLHLM
C2H5+12.40HPITraeger and McLoughlin, 1981LLK
C2H5+12.0 ± 0.1HEISuzuki and Maeda, 1977, 2LLK
C2H5+12.66 ± 0.05HEIWilliams and Hamill, 1968RDSH
C2H5+12.00 ± 0.05H-PIChupka and Berkowitz, 1967RDSH
C2H5+12.65 ± 0.08HPIChupka and Berkowitz, 1967RDSH
H+21. ± 1.?PIAu, Cooper, et al., 1993LL
H+23.5 ± 0.5?EISuzuki and Maeda, 1977, 2LLK
H2+30. ± 1.?PIAu, Cooper, et al., 1993LL
H2+35.0 ± 0.5?EISuzuki and Maeda, 1977, 2LLK
H2+31. ± 1.C2H4+?EINewton, Sciamanna, et al., 1970RDSH
H3+33. ± 1.?PIAu, Cooper, et al., 1993LL
H3+32. ± 1.?EIFuchs, 1972LLK

De-protonation reactions

C2H5- + Hydrogen cation = Ethane

By formula: C2H5- + H+ = C2H6

Quantity Value Units Method Reference Comment
Deltar1758. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Deltar1761. ± 8.4kJ/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
Deltar1723. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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:
RCD - Robert C. Dunbar
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Aluminum ion (1+) + Ethane = (Aluminum ion (1+) bullet Ethane)

By formula: Al+ + C2H6 = (Al+ bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar38. ± 8.4kJ/molCIDC,EqGStockigt, Schwarz, et al., 1996Anchored to theory; RCD

C2H4+ + Ethane = (C2H4+ bullet Ethane)

By formula: C2H4+ + C2H6 = (C2H4+ bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar64.0kJ/molPHPMSHiraoka and Kebarle, 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar88.J/mol*KPHPMSHiraoka and Kebarle, 1980gas phase; M

(Cobalt ion (1+) bullet Methane) + Ethane = (Cobalt ion (1+) bullet Ethane bullet Methane)

By formula: (Co+ bullet CH4) + C2H6 = (Co+ bullet C2H6 bullet CH4)

Quantity Value Units Method Reference Comment
Deltar108.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+).2CH4, «DELTA»rS(480 K); M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
119. (+5.4,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+).2CH4, «DELTA»rS(480 K); M

Cobalt ion (1+) + Ethane = (Cobalt ion (1+) bullet Ethane)

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

Quantity Value Units Method Reference Comment
Deltar93.3J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+)CH4, «DELTA»rS(500 K); M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
100. (+5.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M
117. (+6.7,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+)CH4, «DELTA»rS(500 K); M

(Cobalt ion (1+) bullet 2Ethane) + Ethane = (Cobalt ion (1+) bullet 3Ethane)

By formula: (Co+ bullet 2C2H6) + C2H6 = (Co+ bullet 3C2H6)

Quantity Value Units Method Reference Comment
Deltar50.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; «DELTA»rH<; M

Iron ion (1+) + Ethane = (Iron ion (1+) bullet Ethane)

By formula: Fe+ + C2H6 = (Fe+ bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar70. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; M

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
64.0 (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Nickel ion (1+) + Ethane = (Nickel ion (1+) bullet Ethane)

By formula: Ni+ + C2H6 = (Ni+ bullet C2H6)

Quantity Value Units Method Reference Comment
Deltar120. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 23

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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 sigma = 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(«nu»4+«nu»12)
eu 12 CH3 rock 822  A 821.6 gas  ia

Source: Shimanouchi, 1972

Notes

iaInactive
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

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Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

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Rossini, F.D., Calorimetric determination of the heats of combustion of ethane, propane, normal butane, and normal pentane, J. Res. NBS, 1934, 12, 735-750. [all data]

Gurvich, Veyts, et al., 1989
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Halford J.O., Standard heat capacities of gaseous methanol, ethanol, methane and ethane at 279 K by thermal conductivity, J. Phys. Chem., 1957, 61, 1536-1539. [all data]

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Kistiakowsky G.B., Gaseous heat capacities. I. The method and the heat capacities of C2H6 and C2D6, J. Chem. Phys., 1939, 7, 281-288. [all data]

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Dailey B.P., The heat capacities at higher temperatures of ethane and propane, J. Am. Chem. Soc., 1943, 65, 42-44. [all data]

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Witt, R.K.; Kemp, J.D., The heat capacity of ethane from 15°K to the boiling point. The heat of fusion and the heat of vaporization, J. Am. Chem. Soc., 1937, 59, 273-276. [all data]

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Atake, T.; Chihara, H., Calorimetric study of the phase changes in solid ethane, Chem. Lett., 1976, (7), 683-688. [all data]

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Roder, H.M., The heats of transition of solid ethane, J. Chem. Phys., 1976, 65, 1371-1373. [all data]

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Roder, H.M., Measurements of the specific heats, Ca, and Cv, of dense gaseous and liquid ethane, J. Res., 1976, NBS 80A, 739-759. [all data]

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Wiebe, R.; Hubbard, K.H.; Brevoort, M.J., The heat capacity of saturated liquid ethane from the boiling point to the critical temperature and heat fusion of the solid, J. Am. Chem. Soc., 1930, 52, 611-622. [all data]

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Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

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Younglove, B.A.; Ely, J.F., Thermophysical Properties of Fluids II. Methane, Ethane, Propane, Isobutane, and Normal Butane, J. Phys. Chem. Ref. Data, 1987, 16, 577. [all data]

Majer and Svoboda, 1985
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Stephenson and Malanowski, 1987
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Carruth and Kobayashi, 1973
Carruth, Grant F.; Kobayashi, Riki, Vapor pressure of normal paraffins ethane through n-decane from their triple points to about 10 mm mercury, J. Chem. Eng. Data, 1973, 18, 2, 115-126, https://doi.org/10.1021/je60057a009 . [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Loomis and Walters, 1926
Loomis, A.G.; Walters, J.E., THE VAPOR PRESSURE OF ETHANE NEAR THE NORMAL BOILING POINT 1, J. Am. Chem. Soc., 1926, 48, 8, 2051-2055, https://doi.org/10.1021/ja01419a006 . [all data]

Regnier, 1972
Regnier, J., J. Chim. Phys. Phys.-Chim. Biol., 1972, 69, 6, 942. [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Kemper, Bushnell, et al., 1993
Kemper, P.R.; Bushnell, J.; Von Koppen, P.; Bowers, M.T., Binding Energies of Co+(H2/CH4/C2H6)1,2,3 Clusters, J. Phys. Chem., 1993, 97, 9, 1810, https://doi.org/10.1021/j100111a016 . [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Fowell, 1961
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Cox and Pilcher, 1970
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Smith, 1967
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Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W., In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]

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Carpenter, C.J.; van Koppen, P.A.M.; Bowers, M.T., Details of Potential Energy Surfaces Involving C-C Bond Activation: Reactions of Fe+, Co+ and Ni+ with Acetone, J. Am. Chem. Soc., 1995, 117, 44, 10976, https://doi.org/10.1021/ja00149a021 . [all data]

Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D., Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane, Trans. Faraday Soc., 1967, 63, 1608-1611. [all data]

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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, J. Am. Chem. Soc., 1939, 61, 1868-1876. [all data]

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., Trans. Faraday Soc., 1949, 45, 1159, https://doi.org/10.1039/tf9494501159 . [all data]

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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, Can. J. Chem., 1980, 58, 21, 2262, https://doi.org/10.1139/v80-364 . [all data]

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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, J. Phys. Chem., 1956, 60, 492-495. [all data]

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Lacher, J.R.; Kianpour, A.; Oetting, F.; Park, J.D., Reaction calorimetry. The hydrogenation of organic fluorides and chlorides, Trans. Faraday Soc., 1956, 52, 1500-1508. [all data]

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Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

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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, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

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Notes

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