Cyclopropane

Formula: C₃H₆
Molecular weight: 42.0797
IUPAC Standard InChI: InChI=1S/C3H6/c1-2-3-1/h1-3H2
IUPAC Standard InChIKey: LVZWSLJZHVFIQJ-UHFFFAOYSA-N
CAS Registry Number: 75-19-4
Chemical structure:
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Other names: Trimethylene; Trimethylene (cyclic); UN 1027; Cyclopropnane
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Gas phase thermochemistry data

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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
Δ_fH°_gas	9.392	kcal/mol	Cm	Lacher, Walden, et al., 1950	Heat of hydrobromination; ALS
Δ_fH°_gas	12.74 ± 0.14	kcal/mol	Cm	Knowlton and Rossini, 1949	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-499.85 ± 0.13	kcal/mol	Cm	Knowlton and Rossini, 1949	Corresponding Δ_fHº_gas = 12.75 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

C_p,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

C_p,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 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

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
19.44	240.	Ruehrwein and Powell, 1946	T = 14 to 240 K.

References

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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]

Notes

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Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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