Methylcyclopropane
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChIKey: VNXBKJFUJUWOCW-UHFFFAOYSA-N
- CAS Registry Number: 594-11-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 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. |
Phase change 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 as indicated in comments:
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 | 273.85 | K | N/A | Gragson, Greenlee, et al., 1953 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 273.85 | K | N/A | Gragson, Greenlee, et al., 1953 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 273.88 | K | N/A | Anonymous, 1952 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 277.65 | K | N/A | Lagerlof, 1918 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 277.65 | K | N/A | Demjanoff, 1895 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 96.0 ± 0.3 | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 95.640 | K | N/A | Pomerantz, Fookson, et al., 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.8 | 263. | A | Stephenson and Malanowski, 1987 | Based on data from 177. to 278. K. See also Stull, 1947.; AC |
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 |
---|---|---|---|---|---|
177. to 277.7 | 3.78851 | 881.456 | -44.806 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction 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: 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
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1712. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase |
ΔrH° | 1728. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1680. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase |
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1718. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1682. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase |
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1720. ± 21. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1687. ± 21. | kJ/mol | H-TS | Graul and Squires, 1990 | gas phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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
Go To: Top, Gas phase thermochemistry data, Phase change 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: 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, Phase change data, Reaction 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]
Gragson, Greenlee, et al., 1953
Gragson, J.T.; Greenlee, K.W.; Derfer, J.M.; Boord, C.E.,
J. Am. Chem. Soc., 1953, 75, 3344-7. [all data]
Anonymous, 1952
Anonymous, R.,
, Physical Properties of Chemical Substances, Dow Chemical Co., 1952. [all data]
Lagerlof, 1918
Lagerlof, D.,
Thermodynamic research: reduced formulas for simplified calculations of latent molar heat of evaporation,
J. Prakt. Chem., 1918, 98, 136. [all data]
Demjanoff, 1895
Demjanoff, N.,
Methyltrimethylene,
Ber. Dtsch. Chem. Ges., 1895, 28, 21. [all data]
Pomerantz, Fookson, et al., 1954
Pomerantz, P.; Fookson, A.; Mears, T.W.; Rothberg, S.; Howard, F.L.,
Synth. and Phys. Prop. of Several Aliphatic and Alicyclic Hydrocarbons hydrocarbons,
J. Res. Natl. Bur. Stand. (U. S.), 1954, 52, 59-65. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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]
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]
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, Phase change data, Reaction 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 Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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