1-Butene
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChIKey: VXNZUUAINFGPBY-UHFFFAOYSA-N
- CAS Registry Number: 106-98-9
- 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. - Other names: α-Butene; α-Butylene; But-1-ene; Butene-1; Ethylethylene; 1-Butylene; 1-C4H8
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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:
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 | -0.63 ± 0.79 | kJ/mol | Cm | Prosen, Maron, et al., 1951 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -2716.8 ± 0.75 | kJ/mol | Cm | Prosen, Maron, et al., 1951 | Corresponding ΔfHºgas = -0.54 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 |
---|---|---|---|
41.05 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Calculated values of the thermodynamic functions [ Aston J.D., 1946, Kilpatrick J.E., 1946, Durig J.R., 1980, Thermodynamics Research Center, 1997] show some disagreement between authors as well as with experimental data [ Aston J.D., 1946, 2, Wacker P.F., 1947] (up to 3-4 J/mol*K). More reliable experimental data are required to solve available inconsistency.; GT |
48.05 | 100. | ||
56.41 | 150. | ||
65.19 | 200. | ||
80.03 | 273.15 | ||
85.56 | 298.15 | ||
85.98 | 300. | ||
108.48 | 400. | ||
129.06 | 500. | ||
146.75 | 600. | ||
161.88 | 700. | ||
174.91 | 800. | ||
186.21 | 900. | ||
196.02 | 1000. | ||
204.55 | 1100. | ||
211.96 | 1200. | ||
218.41 | 1300. | ||
224.02 | 1400. | ||
228.91 | 1500. | ||
238.64 | 1750. | ||
245.70 | 2000. | ||
250.92 | 2250. | ||
254.85 | 2500. | ||
257.85 | 2750. | ||
260.16 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
89.58 ± 0.06 | 313.55 | Wacker P.F., 1947 | GT |
101.21 ± 0.07 | 363.25 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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 |
---|---|---|---|---|---|
S°liquid | 229.06 | J/mol*K | N/A | Takeda, Yamamuro, et al., 1991 | |
S°liquid | 227.0 | J/mol*K | N/A | Chao, Hall, et al., 1983 | |
S°liquid | 213.84 | J/mol*K | N/A | Aston, Fink, et al., 1946 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
128.96 | 298.15 | Takeda, Yamamuro, et al., 1991 | T = 5 to 300 K. |
118. | 298.15 | Chao, Hall, et al., 1983 | T = 12 to 360 K. |
128.6 | 294. | Schlinger and Sage, 1949 | T = 294 to 378 K. Cp given as 0.548 Btu/lb*R at 70°F at bubble point. |
119.45 | 260. | Aston, Fink, et al., 1946 | T = 11.5 to 260 K. |
119.16 | 253.4 | Todd and Parks, 1936 | T = 81 to 253 K. Value is unsmoothed experimental datum. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess
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: C4H8 = C4H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.6 ± 0.84 | kJ/mol | Eqk | Meyer and Stroz, 1972 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -11.0 kJ/mol; At 300 K; ALS |
ΔrH° | -12.4 ± 1.7 | kJ/mol | Eqk | Happel, Hnatow, et al., 1971 | gas phase; ALS |
ΔrH° | -12.7 | kJ/mol | Eqk | Maccoll and Ross, 1965 | gas phase; GC; ALS |
ΔrH° | -11.7 ± 0.84 | kJ/mol | Eqk | Golden, Egger, et al., 1964 | gas phase; ALS |
ΔrH° | -11.5 | kJ/mol | Ciso | Levanova and Andreevskii, 1964 | gas phase; At 420.3 K; ALS |
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1724. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 1729. ± 20. | kJ/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1690. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 1695. ± 21. | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
By formula: C4H8 + Br2 = C4H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -120.9 | kJ/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
ΔrH° | -123.2 ± 0.84 | kJ/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.8 ± 0.84 kJ/mol; At 355 °K; ALS |
By formula: HBr + C4H8 = C4H9Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -83.85 ± 0.50 | kJ/mol | Cm | Lacher, Billings, et al., 1952 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -84.3 ± 7.5 kJ/mol; Heat of hydrobromination at 367 K; ALS |
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1707. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1674. ± 15. | kJ/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
By formula: C4H8 = C4H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.6 ± 2.1 | kJ/mol | Eqk | Happel, Hnatow, et al., 1971 | gas phase; ALS |
ΔrH° | -8.16 | kJ/mol | Ciso | Levanova and Andreevskii, 1964 | gas phase; At 420.3 K; ALS |
By formula: C4H8I2 = C4H8 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.2 ± 6.3 | kJ/mol | Cm | Cline and Kistiakowsky, 1937 | gas phase; Heat of formation derived by Cox and Pilcher, 1970; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -125.9 ± 0.42 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1935 | gas phase; At 355 °K; ALS |
By formula: C4H9Cl = C4H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75.31 | kJ/mol | Eqk | Levanova and Andreevskii, 1964 | gas phase; At 420 K; ALS |
By formula: C4H8 + I2 = C4H8I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50.2 ± 6.3 | kJ/mol | Cm | Cline and Kistiakowsky, 1937 | gas phase; ALS |
By formula: C10H14O = C4H8 + C6H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.8 | kJ/mol | Cm | Kukui, Potolovskii, et al., 1973 | liquid phase; ALS |
By formula: C10H14O = C4H8 + C6H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.8 | kJ/mol | Cm | Kukui, Potolovskii, et al., 1973 | liquid phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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:
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 C4H8+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.55 ± 0.06 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.55 ± 0.06 | PIPECO | Van der Meij, Van Eck, et al., 1989 | LL |
9.57 | PI | Traeger, 1986 | LBLHLM |
9.58 | PI | Traeger, 1984 | LBLHLM |
9.62 ± 0.05 | EI | Holmes and Lossing, 1983 | LBLHLM |
9.59 ± 0.02 | PI | Wood and Taylor, 1979 | LLK |
9.63 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
9.625 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
9.58 | EI | Lossing, 1972 | LLK |
9.59 | PE | Dewar and Worley, 1969 | RDSH |
9.62 | CI | Cermak, 1968 | RDSH |
9.61 ± 0.02 | PI | Steiner, Giese, et al., 1961 | RDSH |
9.58 ± 0.01 | PI | Watanabe, 1957 | RDSH |
9.77 ± 0.01 | PE | Krause, Taylor, et al., 1978 | Vertical value; LLK |
10.0 | PE | White, Carlson, et al., 1974 | Vertical value; LLK |
9.72 | PE | Mollere, Bock, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 14.1 | C3H5 | EI | SenSharma and Franklin, 1973 | LLK |
C2H3+ | 13.6 | ? | EI | Omura, 1962 | RDSH |
C2H4+ | 11.65 ± 0.06 | C2H4 | PIPECO | Van der Meij, Van Eck, et al., 1989 | LL |
C2H4+ | 11.7 ± 0.2 | ? | EI | Meisels, Park, et al., 1970 | RDSH |
C2H5+ | 14.22 ± 0.06 | C2H3 | PIPECO | Van der Meij, Van Eck, et al., 1989 | LL |
C3H3+ | 14.07 ± 0.10 | H2+CH3 | PIPECO | Van der Meij, Van Eck, et al., 1989 | LL |
C3H3+ | 13.82 | ? | EI | Omura, 1961 | RDSH |
C3H5+ | 11.36 ± 0.06 | CH3 | PIPECO | Van der Meij, Van Eck, et al., 1989 | LL |
C3H5+ | 11.20 | CH3 | PI | Traeger, 1984 | LBLHLM |
C3H5+ | 11.8 | CH3 | EI | SenSharma and Franklin, 1973 | LLK |
C3H5+ | 11.28 | CH3 | EI | Lossing, 1971 | LLK |
C4H5+ | 14.33 ± 0.07 | H2+H | PIPECO | Van der Meij, Van Eck, et al., 1989 | LL |
C4H7+ | 11.17 ± 0.06 | H | PIPECO | Van der Meij, Van Eck, et al., 1989 | LL |
C4H7+ | 11.13 | H | PI | Traeger, 1986 | LBLHLM |
C4H7+ | 11.26 | H | EI | Lossing, 1972 | LLK |
De-protonation reactions
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1724. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 1729. ± 20. | kJ/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1690. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 1695. ± 21. | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1707. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1674. ± 15. | kJ/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prosen, Maron, et al., 1951
Prosen, E.J.; Maron, F.W.; Rossini, F.D.,
Heats of combustion, formation, and insomerization of ten C4 hydrocarbons,
J. Res. NBS, 1951, 46, 106-112. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Aston J.D., 1946
Aston J.D.,
Thermodynamic properties of gaseous 1,3-butadiene and normal butenes above 25 C. Equilibria in the system 1,3-butadiene, n-butenes, and n-butane,
J. Chem. Phys., 1946, 14, 67-79. [all data]
Kilpatrick J.E., 1946
Kilpatrick J.E.,
Heat content, free energy function, entropy, and heat capacity of ethylene, propylene, and the four butenes to 1500 K,
J. Res. Nat. Bur. Stand, 1946, 37, 163-171. [all data]
Durig J.R., 1980
Durig J.R.,
Spectroscopic and thermodynamic study of conformational properties and torsional potential functions of 1-butene,
J. Phys. Chem., 1980, 84, 773-781. [all data]
Aston J.D., 1946, 2
Aston J.D.,
The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of butene-1. The zero point entropy of the glass. The entropy of the gas from molecular data,
J. Am. Chem. Soc., 1946, 68, 52-57. [all data]
Wacker P.F., 1947
Wacker P.F.,
Heat capacities of gaseous oxygen, isobutane, and 1-butene from -30 to +90 C,
J. Res. Nat. Bur. Stand., 1947, 38, 651-659. [all data]
Takeda, Yamamuro, et al., 1991
Takeda, K.; Yamamuro, O.; Suga, H.,
Thermodynamic study of 1-butene. Exothermic and endothermic enthalpy relaxations near the glass transition,
J. Phys. Chem. Solids, 1991, 22, 607-615. [all data]
Chao, Hall, et al., 1983
Chao, J.; Hall, K.R.; Yao, J.M.,
Thermodynamic properties of simple alkenes,
Thermochim. Acta, 1983, 64(3), 285-303. [all data]
Aston, Fink, et al., 1946
Aston, J.G.; Fink, H.L.; Bestul, A.B.; Pace, E.L.; Szasz, G.J.,
The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of butene-1. The zero point entropy of the glass. The entropy of the gas from molecular data,
J. Am. Chem. Soc., 1946, 68, 52-57. [all data]
Schlinger and Sage, 1949
Schlinger, W.G.; Sage, B.H.,
Isobaric heat capacity of 1-butene and 1-pentene at bubble point,
Ind. Eng. Chem., 1949, 41, 1779-1782. [all data]
Todd and Parks, 1936
Todd, S.S.; Parks, G.S.,
Thermal data on organic compounds. XV. Some heat capacity, entropy and free energy data for the isomeric butenes,
J. Am. Chem. Soc., 1936, 58, 134-137. [all data]
Meyer and Stroz, 1972
Meyer, E.F.; Stroz, D.G.,
Thermodynamics of n-butene isomerization,
J. Am. Chem. Soc., 1972, 94, 6344-6347. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Happel, Hnatow, et al., 1971
Happel, J.; Hnatow, M.A.; Mezaki, R.,
Isomerization equilibrium constants of n-butenes,
J. Chem. Eng. Data, 1971, 16, 206-209. [all data]
Maccoll and Ross, 1965
Maccoll, A.; Ross, R.A.,
The hydrogen bromide catalyzed isomerization of n-butenes. I. equilibrium values,
J. Am. Chem. Soc., 1965, 87, 1169-1170. [all data]
Golden, Egger, et al., 1964
Golden, D.M.; Egger, K.W.; Benson, S.W.,
Iodine-catalyzed isomerization of olefins. I. Thermodynamics data from equilibrium studies of positional and geometrical isomerization of 1-butene and 2-butene,
J. Am. Chem. Soc., 1964, 86, 5416-5420. [all data]
Levanova and Andreevskii, 1964
Levanova, S.V.; Andreevskii, D.N.,
The equilibrium of 2-chlorobutane dehydrochlorination,
Neftekhimiya, 1964, 4, 329-336. [all data]
DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R.,
The Gas Phase Acidities of the Alkanes,
J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003
. [all data]
Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M.,
Stabilization of Cycloalkyl Carbanions in the Gas Phase,
Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608
. [all data]
Lister, 1941
Lister, M.W.,
Heats of organic reactions. X. Heats of bromination of cyclic olefins,
J. Am. Chem. Soc., 1941, 63, 143-149. [all data]
Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
Heats of organic reactions. VII. Addition of halogens to olefins,
J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]
Lacher, Billings, et al., 1952
Lacher, J.R.; Billings, T.J.; Campion, D.E.,
Vapor phase heats of hydrobromination of the isomeric butenes,
J. Am. Chem. Soc., 1952, 74, 5291-52. [all data]
Graul and Squires, 1990
Graul, S.T.; Squires, R.R.,
Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions,
J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007
. [all data]
Cline and Kistiakowsky, 1937
Cline, J.E.; Kistiakowsky, G.B.,
The gaseous equilibrium of 1,2-diiodobutane, butene-1 and iodine,
J. Chem. Phys., 1937, 5, 990. [all data]
Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons,
J. Am. Chem. Soc., 1935, 57, 876-882. [all data]
Kukui, Potolovskii, et al., 1973
Kukui, N.M.; Potolovskii, L.A.; Vasileva, V.N.,
Thermochemical and thermodynamic calculation of the alkylation of phenol by normal α-olefins,
Khim. Tekhnol. Topl. Masel, 1973, 18, 10-13. [all data]
Van der Meij, Van Eck, et al., 1989
Van der Meij, C.E.; Van Eck, J.; Niehaus, A.,
The decomposition of C4H8 complexes at controlled internal energies,
Chem. Phys., 1989, 130, 325. [all data]
Traeger, 1986
Traeger, J.C.,
Heat of formation for the 1-methylallyl cation by photoionization mass spectrometry,
J. Phys. Chem., 1986, 90, 4114. [all data]
Traeger, 1984
Traeger, J.C.,
A study of the allyl cation thermochemistry by photoionization mass spectrometry,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 259. [all data]
Holmes and Lossing, 1983
Holmes, J.L.; Lossing, F.P.,
The need for adequate thermochemical data for the interpretation of fragmentation mechanisms and ion structure assignments,
Int. J. Mass Spectrom. Ion Phys., 1983, 47, 133. [all data]
Wood and Taylor, 1979
Wood, K.V.; Taylor, J.W.,
A photoionization mass spectrometric study of autoionization in ethylene and trans-2-butene,
Int. J. Mass Spectrom. Ion Phys., 1979, 30, 307. [all data]
Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
Helv. Chim. Acta, 1977, 60, 2213. [all data]
Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G.,
Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects,
J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]
Lossing, 1972
Lossing, F.P.,
Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions,
Can. J. Chem., 1972, 50, 3973. [all data]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
J. Chem. Phys., 1969, 50, 654. [all data]
Cermak, 1968
Cermak, V.,
Penning ionization electron spectroscopy,
Advan. Mass Spectrom., 1968, 4, 697. [all data]
Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G.,
Photoionization of alkanes. Dissociation of excited molecular ions,
J. Chem. Phys., 1961, 34, 189. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [all data]
Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F.,
An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes,
J. Am. Chem. Soc., 1978, 100, 718. [all data]
White, Carlson, et al., 1974
White, R.M.; Carlson, T.A.; Spears, D.P.,
Angular distribution of the photoelectron spectra for ethylene, propylene, butene and butadiene,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 59. [all data]
Mollere, Bock, et al., 1972
Mollere, P.; Bock, H.; Becker, G.; Fritz, G.,
Photoelectron spectra and molecular properties. XV. The effects of α- and β-silyl substituents on π-systems,
J. Organomet. Chem., 1972, 46, 89. [all data]
SenSharma and Franklin, 1973
SenSharma, D.K.; Franklin, J.L.,
Heat of formation of free radicals by mass spectrometry,
J. Am. Chem. Soc., 1973, 95, 6562. [all data]
Omura, 1962
Omura, I.,
Study on unimolecular decomposition of excited olefin ions,
Bull. Chem. Soc. Japan, 1962, 35, 1845. [all data]
Meisels, Park, et al., 1970
Meisels, G.G.; Park, J.Y.; Giessner, B.G.,
Ionization and dissociation of C4H8 isomers,
J. Am. Chem. Soc., 1970, 92, 254. [all data]
Omura, 1961
Omura, I.,
Mass spectra at low ionizing voltage and bond dissociation energies of molecular ions from hydrocarbons,
Bull. Chem. Soc. Japan, 1961, 34, 1227. [all data]
Lossing, 1971
Lossing, F.P.,
Free radicals by mass spectrometry. XLIII. Ionization potentials and ionic heats of formation for vinyl, allyl, and benzyl radicals,
Can. J. Chem., 1971, 49, 357. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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