Methylcyclopropane
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChIKey: VNXBKJFUJUWOCW-UHFFFAOYSA-N
- CAS Registry Number: 594-11-6
- Chemical structure:
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.97 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Selected values are in good agreement with those from other statistical thermodynamics calculation [ Kabo G.Y., 1973]. |
40.65 | 100. | ||
48.58 | 150. | ||
57.87 | 200. | ||
75.51 | 273.15 | ||
82.20 | 298.15 | ||
82.70 | 300. | ||
109.04 | 400. | ||
131.81 | 500. | ||
150.53 | 600. | ||
166.08 | 700. | ||
179.25 | 800. | ||
190.55 | 900. | ||
200.33 | 1000. | ||
208.80 | 1100. | ||
216.17 | 1200. | ||
222.57 | 1300. | ||
228.15 | 1400. | ||
233.02 | 1500. | ||
242.7 | 1750. | ||
249.8 | 2000. | ||
255.0 | 2250. | ||
259.0 | 2500. | ||
262.1 | 2750. | ||
264.4 | 3000. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.30 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
9.46 | EI | Lossing, 1972 | LLK |
9.9 ± 0.2 | EI | Meisels and Giessner, 1971 | LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H4+ | 12.5 ± 0.2 | ? | EI | Meisels, Park, et al., 1970 | RDSH |
C3H5+ | 11.02 | CH3 | EI | Lossing, 1972 | LLK |
C3H5+ | 10.9 | CH3 | EI | Meisels and Giessner, 1971 | LLK |
C4H7+ | 11.02 | H | EI | Lossing, 1972 | LLK |
De-protonation reactions
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1712. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 1728. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1680. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1718. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1682. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1720. ± 21. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1687. ± 21. | kJ/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 120. | 414.5 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 415. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Kabo G.Y., 1973
Kabo G.Y.,
Thermodynamic properties of some hydrocarbons containing three-membered rings,
Vestn. Beloruss. Univ., Ser. 2, 1973, 3-6. [all data]
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [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]
Meisels and Giessner, 1971
Meisels, G.G.; Giessner, B.G.,
Threshold behavior and the determination of appearance potentials from second differential ionization efficiencies,
Int. J. Mass Spectrom. Ion Phys., 1971, 7, 489. [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]
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]
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]
Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G.,
Use of retention increments for identification and correlation of saturated and unsaturated cyclopropane hydrocarbons by means of Kovats indices,
Anal. Chem., 1973, 45, 9, 1647-1658, https://doi.org/10.1021/ac60331a021
. [all data]
Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R.,
Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions,
Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas 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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