Cyclopropane

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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 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
Δfgas9.392kcal/molCmLacher, Walden, et al., 1950Heat of hydrobromination; ALS
Δfgas12.74 ± 0.14kcal/molCmKnowlton and Rossini, 1949ALS
Quantity Value Units Method Reference Comment
Δcgas-499.85 ± 0.13kcal/molCmKnowlton and Rossini, 1949Corresponding Δfgas = 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
7.94950.Dorofeeva O.V., 1986Selected 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
7.964100.
8.260150.
9.300200.
12.12273.15
13.28 ± 0.24298.15
13.37300.
18.18400.
22.43500.
25.942600.
28.843700.
31.288800.
33.380900.
35.1841000.
36.7471100.
38.1051200.
39.2881300.
40.3181400.
41.2171500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.456157.8Kistiakowsky G.B., 1940Please also see Kistiakowsky G.B., 1940, 2.; GT
10.08220.1
10.17223.7
11.63258.7
12.10272.15
13.06291.4
13.21295.5
13.50300.48
14.17313.9
14.17316.7
14.56325.1
14.86332.8
15.10333.70
15.36338.9
15.12339.6
16.77368.46

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
liquid34.089cal/mol*KN/ARuehrwein and Powell, 1946 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
19.44240.Ruehrwein and Powell, 1946T = 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
Tboil240. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus146. ± 3.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple145.8KN/ATickner and Lossing, 1951Uncertainty assigned by TRC = 0.8 K; from change in slope of obs. vapor pressure; TRC
Ttriple145.57KN/ARuehrwein and Powell, 1946, 2Uncertainty assigned by TRC = 0.02 K; temp. scale for Tc = 273.10K; TRC
Ttriple145.59KN/ARuehrwein and Powell, 1946, 2Uncertainty assigned by TRC = 0.08 K; TRC
Quantity Value Units Method Reference Comment
Tc398.0 ± 0.3KN/ADaubert, 1996 
Tc398.3KN/ALin, Silberberg, et al., 1970Uncertainty assigned by TRC = 0.05 K; TRC
Tc397.80KN/ABooth and Morris, 1958Uncertainty assigned by TRC = 0.15 K; mean of measurements on three samples by visual obssrvation; TRC
Tc397.8KN/AHorneg, 1941Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Pc54.7 ± 0.5atmN/ADaubert, 1996 
Pc55.0650atmN/ALin, Silberberg, et al., 1970Uncertainty assigned by TRC = 0.0499 atm; TRC
Pc54.23atmN/ABooth and Morris, 1958Uncertainty assigned by TRC = 0.2000 atm; mean of measurements on 3 samples, visual observation; TRC
Pc3.231atmN/AHorneg, 1941Uncertainty assigned by TRC = 0.01 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.162l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
ρc6.15 ± 0.05mol/lN/ADaubert, 1996 
ρc6.143mol/lN/ALin, Silberberg, et al., 1970Uncertainty assigned by TRC = 0.007 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap4.328kcal/molN/AMajer and Svoboda, 1985 
Δvap4.068kcal/molN/ALin, Silberberg, et al., 1970, 2AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.7930240.34N/ARuehrwein and Powell, 1946P = 101.325 kPa; DH
4.792240.3N/AMajer and Svoboda, 1985 
5.21210.N/ACalado, Filipe, et al., 1997Based on data from 195. to 225. K.; AC
4.88373.AStephenson and Malanowski, 1987Based on data from 358. to 398. K.; AC
4.76312.AStephenson and Malanowski, 1987Based on data from 297. to 359. K.; AC
4.85224.AStephenson and Malanowski, 1987Based on data from 188. to 239. K.; AC
4.76254.AStephenson and Malanowski, 1987Based on data from 239. to 298. K.; AC
5.04226.N/ARuehrwein and Powell, 1946, 3Based 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
19.94240.34Ruehrwein and Powell, 1946P; 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 241.074.04444870.393-25.063Ruehrwein and Powell, 1946, 3Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
6.98145.BBondi, 1963AC
6.74128.A,MSTickner and Lossing, 1951, 2Based on data from 115. to 141. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.301145.57Ruehrwein and Powell, 1946DH
1.30145.6Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
8.936145.57Ruehrwein and Powell, 1946DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C3H5- + Hydrogen cation = Cyclopropane

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Δr410. ± 3.kcal/molAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr401. ± 3.kcal/molAVGN/AAverage of 3 out of 6 values; Individual data points

Hydrogen bromide + Cyclopropane = Propane, 1-bromo-

By formula: HBr + C3H6 = C3H7Br

Quantity Value Units Method Reference Comment
Δr-25.77 ± 0.32kcal/molCmLacher, Kianpour, et al., 1957gas phase; ALS
Δr-22.69 ± 0.16kcal/molCmLacher, Walden, et al., 1950gas phase; Heat of hydrobromination; ALS

Propane, 1,3-diiodo- = Cyclopropane + Iodine

By formula: C3H6I2 = C3H6 + I2

Quantity Value Units Method Reference Comment
Δr18.3 ± 4.0kcal/molEqkBenson and Amano, 1962gas phase; ALS

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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]

Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Park, J.D., Reaction heats of organic halogen compounds. X. Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Phys. Chem., 1957, 61, 1124-1125. [all data]

Benson and Amano, 1962
Benson, S.W.; Amano, A., Thermodynamics of iodine addition to ethylene, propylene, and cyclopropane, J. Chem. Phys., 1962, 36, 3464-3471. [all data]


Notes

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