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, Phase change data, Henry's Law 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 | -0.15 ± 0.19 | kcal/mol | Cm | Prosen, Maron, et al., 1951 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -649.33 ± 0.18 | kcal/mol | Cm | Prosen, Maron, et al., 1951 | Corresponding ΔfHºgas = -0.13 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 |
---|---|---|---|
9.811 | 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 |
11.48 | 100. | ||
13.48 | 150. | ||
15.58 | 200. | ||
19.13 | 273.15 | ||
20.45 | 298.15 | ||
20.55 | 300. | ||
25.927 | 400. | ||
30.846 | 500. | ||
35.074 | 600. | ||
38.690 | 700. | ||
41.804 | 800. | ||
44.505 | 900. | ||
46.850 | 1000. | ||
48.889 | 1100. | ||
50.660 | 1200. | ||
52.201 | 1300. | ||
53.542 | 1400. | ||
54.711 | 1500. | ||
57.036 | 1750. | ||
58.724 | 2000. | ||
59.971 | 2250. | ||
60.911 | 2500. | ||
61.628 | 2750. | ||
62.180 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.41 ± 0.01 | 313.55 | Wacker P.F., 1947 | GT |
24.19 ± 0.02 | 363.25 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 266.8 ± 0.5 | K | AVG | N/A | Average of 15 out of 17 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 87.800 | K | N/A | Takeda, Yamamuro, et al., 1991 | Uncertainty assigned by TRC = 0.005 K; TRC |
Ttriple | 87.82 | K | N/A | Chao, Hall, et al., 1983 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 87.8 | K | N/A | Aston, Finke, et al., 1946 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 87.83 | K | N/A | Aston, Finke, et al., 1946 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 419.5 ± 0.5 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 419.6 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 417.15 | K | N/A | Coffin and Maass, 1928 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.7 ± 0.5 | atm | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.2408 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.15 ± 0.05 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 4.990 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 4.80 | kcal/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2261 | 266.91 | N/A | Aston, Fink, et al., 1946 | P = 101.325 kPa; DH |
5.275 | 266.9 | N/A | Majer and Svoboda, 1985 | |
5.57 | 259. | A | Stephenson and Malanowski, 1987 | Based on data from 200. to 274. K.; AC |
6.76 | 177. | A | Stephenson and Malanowski, 1987 | Based on data from 126. to 192. K.; AC |
5.45 | 282. | A | Stephenson and Malanowski, 1987 | Based on data from 267. to 345. K.; AC |
5.26 | 357. | A | Stephenson and Malanowski, 1987 | Based on data from 342. to 411. K.; AC |
5.38 | 282. | A | Stephenson and Malanowski, 1987 | Based on data from 267. to 411. K.; AC |
5.6647 | 202. | C | Aston, Fink, et al., 1946 | ALS |
6.05 | 202. | N/A | Aston, Fink, et al., 1946 | AC |
5.86 | 219. | N/A | Aston, Fink, et al., 1946 | AC |
5.57 | 242. | N/A | Aston, Fink, et al., 1946 | AC |
5.23 | 267. | N/A | Aston, Fink, et al., 1946 | AC |
5.54 | 258. | N/A | Lamb and Roper, 1940 | Based on data from 216. to 273. K. See also Boublik, Fried, et al., 1984.; AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 203. to 378. |
---|---|
A (kcal/mol) | 7.770 |
α | 0.0052 |
β | 0.38 |
Tc (K) | 419.6 |
Reference | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.58 | 266.91 | Aston, Fink, et al., 1946 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
195.7 to 269.4 | 4.24125 | 1099.207 | -8.256 | Coffin and Maass, 1928, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.94613 | 87.81 | Takeda, Yamamuro, et al., 1991, 2 | DH |
0.9197 | 87.82 | Chao, Hall, et al., 1983, 2 | DH |
0.9199 | 87.82 | Aston, Fink, et al., 1946 | DH |
0.920 | 87.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.78 | 87.81 | Takeda, Yamamuro, et al., 1991, 2 | DH |
10.5 | 87.82 | Chao, Hall, et al., 1983, 2 | DH |
10.48 | 87.82 | Aston, Fink, et al., 1946 | DH |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Phase change 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0040 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0014 | L | N/A | ||
0.013 | 6400. | L | N/A | |
0.0040 | V | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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° | 412.0 ± 2.0 | kcal/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 413.2 ± 4.8 | kcal/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 404.0 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 405.2 ± 4.9 | kcal/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 408.0 ± 3.5 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 400.2 ± 3.6 | kcal/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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, 52, 607. [all data]
Chao, Hall, et al., 1983
Chao, J.; Hall, K.R.; Yao, J.M.,
Thermodynamic Properties of Simple Alkenes,
Thermochim. Acta, 1983, 64, 285. [all data]
Aston, Finke, et al., 1946
Aston, J.G.; Finke, 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. [all data]
Tsonopoulos and Ambrose, 1996
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons,
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Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Coffin and Maass, 1928
Coffin, C.C.; Maass, O.,
The Preparation and Physical Properties of α-,β- and γ-Butylene and Normal and Isobutane,
J. Am. Chem. Soc., 1928, 50, 1427-37. [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]
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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Lamb and Roper, 1940
Lamb, Arthur B.; Roper, Edwin E.,
The Vapor Pressures of Certain Unsaturated Hydrocarbons,
J. Am. Chem. Soc., 1940, 62, 4, 806-814, https://doi.org/10.1021/ja01861a032
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Coffin and Maass, 1928, 2
Coffin, C.C.; Maass, O.,
The Preparation and Physical Properties of α, β- and γ-Butylene and Normal and Isobutane,
J. Am. Chem. Soc., 1928, 50, 5, 1427-1437, https://doi.org/10.1021/ja01392a028
. [all data]
Takeda, Yamamuro, et al., 1991, 2
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, 2
Chao, J.; Hall, K.R.; Yao, J.M.,
Thermodynamic properties of simple alkenes,
Thermochim. Acta, 1983, 64(3), 285-303. [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,
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. [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,
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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,
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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,
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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,
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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,
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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]
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, 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 Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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 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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