Cyclopropane
- Formula: C3H6
- Molecular weight: 42.0797
- IUPAC Standard InChIKey: LVZWSLJZHVFIQJ-UHFFFAOYSA-N
- CAS Registry Number: 75-19-4
- 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: Trimethylene; Trimethylene (cyclic); UN 1027; Cyclopropnane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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:
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 | 9.392 | kcal/mol | Cm | Lacher, Walden, et al., 1950 | Heat of hydrobromination; ALS |
ΔfH°gas | 12.74 ± 0.14 | kcal/mol | Cm | Knowlton and Rossini, 1949 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -499.85 ± 0.13 | kcal/mol | Cm | Knowlton and Rossini, 1949 | Corresponding ΔfHºgas = 12.75 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 |
---|---|---|---|
7.949 | 50. | Dorofeeva O.V., 1986 | Selected S(T) and Cp(T) values are in good agreement with those calculated earlier [ Kobe K.A., 1950]. The agreement with the data of [80KAR/PAM] increases as the temperature increases (up to 2 J/mol*K in Cp(1000 K)).; GT |
7.964 | 100. | ||
8.260 | 150. | ||
9.300 | 200. | ||
12.12 | 273.15 | ||
13.28 ± 0.24 | 298.15 | ||
13.37 | 300. | ||
18.18 | 400. | ||
22.43 | 500. | ||
25.942 | 600. | ||
28.843 | 700. | ||
31.288 | 800. | ||
33.380 | 900. | ||
35.184 | 1000. | ||
36.747 | 1100. | ||
38.105 | 1200. | ||
39.288 | 1300. | ||
40.318 | 1400. | ||
41.217 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.456 | 157.8 | Kistiakowsky G.B., 1940 | Please also see Kistiakowsky G.B., 1940, 2.; GT |
10.08 | 220.1 | ||
10.17 | 223.7 | ||
11.63 | 258.7 | ||
12.10 | 272.15 | ||
13.06 | 291.4 | ||
13.21 | 295.5 | ||
13.50 | 300.48 | ||
14.17 | 313.9 | ||
14.17 | 316.7 | ||
14.56 | 325.1 | ||
14.86 | 332.8 | ||
15.10 | 333.70 | ||
15.36 | 338.9 | ||
15.12 | 339.6 | ||
16.77 | 368.46 |
Condensed 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 34.089 | cal/mol*K | N/A | Ruehrwein and Powell, 1946 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.44 | 240. | Ruehrwein and Powell, 1946 | T = 14 to 240 K. |
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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 240. ± 3. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 146. ± 3. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 145.8 | K | N/A | Tickner and Lossing, 1951 | Uncertainty assigned by TRC = 0.8 K; from change in slope of obs. vapor pressure; TRC |
Ttriple | 145.57 | K | N/A | Ruehrwein and Powell, 1946, 2 | Uncertainty assigned by TRC = 0.02 K; temp. scale for Tc = 273.10K; TRC |
Ttriple | 145.59 | K | N/A | Ruehrwein and Powell, 1946, 2 | Uncertainty assigned by TRC = 0.08 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 398.0 ± 0.3 | K | N/A | Daubert, 1996 | |
Tc | 398.3 | K | N/A | Lin, Silberberg, et al., 1970 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tc | 397.80 | K | N/A | Booth and Morris, 1958 | Uncertainty assigned by TRC = 0.15 K; mean of measurements on three samples by visual obssrvation; TRC |
Tc | 397.8 | K | N/A | Horneg, 1941 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 54.7 ± 0.5 | atm | N/A | Daubert, 1996 | |
Pc | 55.0650 | atm | N/A | Lin, Silberberg, et al., 1970 | Uncertainty assigned by TRC = 0.0499 atm; TRC |
Pc | 54.23 | atm | N/A | Booth and Morris, 1958 | Uncertainty assigned by TRC = 0.2000 atm; mean of measurements on 3 samples, visual observation; TRC |
Pc | 3.231 | atm | N/A | Horneg, 1941 | Uncertainty assigned by TRC = 0.01 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.162 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 6.15 ± 0.05 | mol/l | N/A | Daubert, 1996 | |
ρc | 6.143 | mol/l | N/A | Lin, Silberberg, et al., 1970 | Uncertainty assigned by TRC = 0.007 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 4.328 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 4.068 | kcal/mol | N/A | Lin, Silberberg, et al., 1970, 2 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.7930 | 240.34 | N/A | Ruehrwein and Powell, 1946 | P = 101.325 kPa; DH |
4.792 | 240.3 | N/A | Majer and Svoboda, 1985 | |
5.21 | 210. | N/A | Calado, Filipe, et al., 1997 | Based on data from 195. to 225. K.; AC |
4.88 | 373. | A | Stephenson and Malanowski, 1987 | Based on data from 358. to 398. K.; AC |
4.76 | 312. | A | Stephenson and Malanowski, 1987 | Based on data from 297. to 359. K.; AC |
4.85 | 224. | A | Stephenson and Malanowski, 1987 | Based on data from 188. to 239. K.; AC |
4.76 | 254. | A | Stephenson and Malanowski, 1987 | Based on data from 239. to 298. K.; AC |
5.04 | 226. | N/A | Ruehrwein and Powell, 1946, 3 | Based on data from 183. to 241. K. See also Boublik, Fried, et al., 1984.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.94 | 240.34 | Ruehrwein and Powell, 1946 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
183.12 to 241.07 | 4.04444 | 870.393 | -25.063 | Ruehrwein and Powell, 1946, 3 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.98 | 145. | B | Bondi, 1963 | AC |
6.74 | 128. | A,MS | Tickner and Lossing, 1951, 2 | Based on data from 115. to 141. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.301 | 145.57 | Ruehrwein and Powell, 1946 | DH |
1.30 | 145.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.936 | 145.57 | Ruehrwein and Powell, 1946 | DH |
Henry's Law 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: 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 |
---|---|---|---|---|
0.013 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 294. K. | |
0.011 | 1700. | L | N/A |
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 | BPX-5 | 30. | 356. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | BPX-5 | 30. | 357. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | CP Sil 5 CB | 20. | 348.8 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Packed | Squalane | 27. | 344. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 345. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 346. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 347. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 367. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 331. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 331. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Packed | SE-30 | 351. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 405. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lacher, Walden, et al., 1950
Lacher, J.R.; Walden, C.H.; Lea, K.R.; Park, J.D.,
Vapor phase heats of hydrobromination of cyclopropane and propylene,
J. Am. Chem. Soc., 1950, 72, 331-333. [all data]
Knowlton and Rossini, 1949
Knowlton, J.W.; Rossini, F.D.,
Heats of combustion and formation of cyclopropane,
J. Res. NBS, 1949, 43, 113-115. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
Thermodynamic properties of twenty-one monocyclic hydrocarbons,
J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]
Kobe K.A., 1950
Kobe K.A.,
Thermochemistry for the petrochemical industry. XIV. Some miscellaneous hydrocarbons,
Petrol. Refiner, 1950, 29 (12), 93-96. [all data]
Kistiakowsky G.B., 1940
Kistiakowsky G.B.,
Gaseous heat capacities. II,
J. Chem. Phys., 1940, 8, 610-618. [all data]
Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B.,
The low temperature gaseous heat capacities of certain C3 hydrocarbons,
J. Chem. Phys., 1940, 8, 970-977. [all data]
Ruehrwein and Powell, 1946
Ruehrwein, R.A.; Powell, T.M.,
The heat capacity, vapor pressure, heats of fusion and vaporization of cyclopropane. Entropy and density of the gas,
J. Am. Chem. Soc., 1946, 68, 1063-1068. [all data]
Tickner and Lossing, 1951
Tickner, A.W.; Lossing, F.P.,
The Measurement of Low Vapor Pressures by Means of A Mass Spectrometer,
J. Phys. Colloid Chem., 1951, 55, 733-40. [all data]
Ruehrwein and Powell, 1946, 2
Ruehrwein, R.A.; Powell, T.M.,
The heat capacity, vapor pressure, heats of fusion and vaporization of cyclopropane. Entropy and density of the gas,
J. Am. Chem. Soc., 1946, 68, 1063-6. [all data]
Daubert, 1996
Daubert, T.E.,
Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes,
J. Chem. Eng. Data, 1996, 41, 365-372. [all data]
Lin, Silberberg, et al., 1970
Lin, D.C.K.; Silberberg, I.H.; McKetta, J.J.,
Volumetric Behavior, Vapor Pressure and Critical Properties of Cyclopropane,
J. Chem. Eng. Data, 1970, 15, 483. [all data]
Booth and Morris, 1958
Booth, H.S.; Morris, W.C.,
The Critical Constants and Vapor Pressure of Cyclopropane,
J. Phys. Chem., 1958, 62, 875. [all data]
Horneg, 1941
Horneg, A.G.,
Personal Communication, A. G. Horneg, Ohio Chem. & Mfg. Co., Phys. Constants of the Principal Hydrocarbons, 1941. [all data]
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]
Lin, Silberberg, et al., 1970, 2
Lin, David C.K.; Silberberg, I. Harold; McKetta, John J.,
Volumetric behavior, vapor pressures, and critical properties of cyclopropane,
J. Chem. Eng. Data, 1970, 15, 4, 483-492, https://doi.org/10.1021/je60047a016
. [all data]
Calado, Filipe, et al., 1997
Calado, Jorge C.G.; Filipe, Eduardo J.M.; Lopes, José N.C.,
The vapour pressure of liquid cyclopropane,
The Journal of Chemical Thermodynamics, 1997, 29, 12, 1435-1438, https://doi.org/10.1006/jcht.1997.0256
. [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]
Ruehrwein and Powell, 1946, 3
Ruehrwein, R.A.; Powell, T.M.,
The Heat Capacity, Vapor Pressure, Heats of Fusion and Vaporization of Cyclopropane. Entropy and Density of the Gas 1,
J. Am. Chem. Soc., 1946, 68, 6, 1063-1066, https://doi.org/10.1021/ja01210a044
. [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]
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]
Tickner and Lossing, 1951, 2
Tickner, A.W.; Lossing, F.P.,
The Measurement of Low Vapor Pressures by Means of a Mass Spectrometer.,
J. Phys. Chem., 1951, 55, 5, 733-740, https://doi.org/10.1021/j150488a013
. [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]
Aflalaye, Sternberg, et al., 1995
Aflalaye, A.; Sternberg, R.; Raulin, F.; Vidal-Madjar, C.,
Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columns,
J. Chromatogr. A, 1995, 708, 2, 283-291, https://doi.org/10.1016/0021-9673(95)00410-O
. [all data]
Do and Raulin, 1992
Do, L.; Raulin, F.,
Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column,
J. Chromatogr., 1992, 591, 1-2, 297-301, https://doi.org/10.1016/0021-9673(92)80247-R
. [all data]
Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [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]
Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L.,
A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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 ΔsubH Enthalpy of sublimation 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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