Propane

Formula: C₃H₈
Molecular weight: 44.0956
IUPAC Standard InChI: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
IUPAC Standard InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N
CAS Registry Number: 74-98-6
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.
Isotopologues:
Other names: n-Propane; Dimethylmethane; Freon 290; Liquefied petroleum gas; LPG; Propyl hydride; R 290; C3H8; UN 1978; A-108; Hydrocarbon propellant A-108; HC 290
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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	-104.7 ± 0.50	kJ/mol	Ccb	Pittam and Pilcher, 1972	ALS
Δ_fH°_gas	-103.8 ± 0.59	kJ/mol	Ccb	Prosen and Rossini, 1945	Hf derived from Heat of Hydrogenation; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-2219.2 ± 0.46	kJ/mol	Ccb	Pittam and Pilcher, 1972	Corresponding Δ_fHº_gas = -104.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_gas	-2204.0 ± 0.54	kJ/mol	Ccb	Prosen and Rossini, 1945	Hf derived from Heat of Hydrogenation; Corresponding Δ_fHº_gas = -119.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_gas	-2219.9 ± 0.50	kJ/mol	Ccb	Rossini, 1934	Corresponding Δ_fHº_gas = -103.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_gas	-2207.	kJ/mol	Ccb	Guinchant, 1918	Corresponding Δ_fHº_gas = -117. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
34.06	50.	Chao J., 1973	Recommended values are in good agreement with those calculated by [ Pitzer K.S., 1944].; GT
41.30	100.
48.79	150.
56.07	200.
68.74	273.15
73.60	298.15
73.93	300.
94.01	400.
112.59	500.
128.70	600.
142.67	700.
154.77	800.
165.35	900.
174.60	1000.
182.67	1100.
189.74	1200.
195.85	1300.
201.21	1400.
205.89	1500.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
48.91	148.2	Ernst G., 1970	Please also see Kistiakowsky G.B., 1940, Kistiakowsky G.B., 1940, 2, Dailey B.P., 1943.; GT
50.38	157.8
58.58	213.1
59.29	219.2
65.90	258.0
67.74	272.38
72.67 ± 0.07	293.15
73.55	300.37
76.11 ± 0.08	313.15
80.30 ± 0.08	333.15
80.54	334.05
82.26	343.65
84.40 ± 0.08	353.15
85.19	360.05
87.45	368.55
90.46	387.75
104.89	452.55
116.69	521.15
121.75	561.95
128.66	603.25
140.62	693.15

Condensed phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-119.8 ± 0.59	kJ/mol	Ccb	Prosen and Rossini, 1945	Hf derived from Heat of Hydrogenation; ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	171.0	J/mol*K	N/A	Kemp and Egan, 1938	Debye extrapolation, 0 to 15 K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
98.36	230.	Vas'kov, 1982	T = 90 to 230 K. Cp given as 2.2305 J/g*K.; DH
119.6	300.	Goodwin, 1978	T = 81 to 289 K. Cp data reported for an extended data set; unsmoothed experimental datum.; DH
98.28	230.	Kemp and Egan, 1938	T = 15 to 230 K.; DH

Phase change data

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Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
T_boil	231.1 ± 0.2	K	AVG	N/A	Average of 17 out of 21 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	85.5	K	N/A	Streng, 1971	Uncertainty assigned by TRC = 0.2 K; TRC
T_fus	85.46	K	N/A	Klipping and Schmidt, 1965	Uncertainty assigned by TRC = 0.2 K; TRC
T_fus	83.25	K	N/A	Harteck and Edse, 1938	Uncertainty assigned by TRC = 0.5 K; TRC
T_fus	86.05	K	N/A	Hicks-Brunn and Bruun, 1936	Uncertainty assigned by TRC = 0.15 K; TRC
T_fus	85.35	K	N/A	Timmermans, 1921	Uncertainty assigned by TRC = 0.5 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	85. ± 3.	K	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_triple	1.685×10^-9	bar	N/A	Younglove and Ely, 1987	Uncertainty assigned by TRC = 1.×10^-12 bar; TRC
P_triple	1.6895×10^-9	bar	N/A	Goodwin and Haynes, 1982	TRC
Quantity	Value	Units	Method	Reference	Comment
T_c	369.9 ± 0.2	K	AVG	N/A	Average of 30 out of 37 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	42.5 ± 0.1	bar	AVG	N/A	Average of 25 out of 32 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
V_c	0.200	l/mol	N/A	Ambrose and Tsonopoulos, 1995
V_c	0.2	l/mol	N/A	Younglove and Ely, 1987	Uncertainty assigned by TRC = 0.001 l/mol; TRC
V_c	0.198	l/mol	N/A	Barber, Kay, et al., 1982	Uncertainty assigned by TRC = 0.004 l/mol; TRC
V_c	0.202	l/mol	N/A	Meyer, 1941	Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity	Value	Units	Method	Reference	Comment
ρ_c	5.1 ± 0.4	mol/l	AVG	N/A	Average of 14 out of 15 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	16.25	kJ/mol	N/A	Majer and Svoboda, 1985

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
18.774	231.04	N/A	Kemp and Egan, 1938	DH
19.04	231.1	N/A	Majer and Svoboda, 1985
18.8	293.	A	Stephenson and Malanowski, 1987	Based on data from 278. to 332. K.; AC
19.5	233.	A	Stephenson and Malanowski, 1987	Based on data from 165. to 248. K.; AC
22.1	150.	A	Stephenson and Malanowski, 1987	Based on data from 104. to 165. K.; AC
19.0	266.	A	Stephenson and Malanowski, 1987	Based on data from 231. to 281. K.; AC
19.2	344.	A	Stephenson and Malanowski, 1987	Based on data from 329. to 369. K.; AC
18.9	327.	N/A	Majer, Sváb, et al., 1980	Based on data from 312. to 367. K.; AC
18.77	256.	N/A	Reid, 1972	AC
20.0	216.	N/A	Reidel, 1938	Based on data from 166. to 231. K.; AC

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
T_r = reduced temperature (T / T_c)

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Temperature (K)	278. to 361.
A (kJ/mol)	27.9
α	0.0208
β	0.3766
T_c (K)	369.8
Reference	Majer and Svoboda, 1985

Entropy of vaporization

Δ_vapS (J/mol*K)	Temperature (K)	Reference	Comment
81.26	231.04	Kemp and Egan, 1938	DH

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
277.6 to 360.8	4.53678	1149.36	24.906	Helgeson and Sage, 1967	Coefficents calculated by NIST from author's data.
230.6 to 320.7	3.98292	819.296	-24.417	Rips, 1963	Coefficents calculated by NIST from author's data.
166.02 to 231.41	4.01158	834.26	-22.763	Kemp and Egan, 1938	Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

Δ_subH (kJ/mol)	Temperature (K)	Method	Reference	Comment
28.5	86.	B	Bondi, 1963	AC

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Method	Reference	Comment
3.51	85.5	AC	Perkins, Ochoa, et al., 2009	AC
3.52	85.5	N/A	Acree, 1991	AC

Temperature of phase transition

T_trs (K)	Initial Phase	Final Phase	Reference	Comment
45.5	crystaline	glass	Takeda, Oguni, et al., 1990	DH

Enthalpy of phase transition

ΔH_trs (kJ/mol)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
3.524	85.45	crystaline, I	liquid	Kemp and Egan, 1938	DH

Entropy of phase transition

ΔS_trs (J/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
41.24	85.45	crystaline, I	liquid	Kemp and Egan, 1938	DH

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:

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References, Notes

Data compiled by: Takehiko Shimanouchi

Symmetry: C_2ν Symmetry Number σ = 2

Sym.	No	Approximate	Selected Freq.		Infrared		Raman		Comments

Species		type of mode	Value	Rating	Value	Phase	Value	Phase

a₁	1	CH3 d-str	2977	C	2977	gas
a₁	2	CH3 s-str	2962	D	2962	gas
a₁	3	CH2 s-str	2887	C	2887	gas
a₁	4	CH3 d-deform	1476	C	1476	gas
a₁	5	CH2 scis	1462	C	1462	gas
a₁	6	CH3 s-deform	1392	C	1392	gas
a₁	7	CH3 rock	1158	C	1158	gas	1152 W	liq.
a₁	8	CC str	869	C	869	gas	867 S	liq.
a₁	9	CCC deform	369	C	369	gas	375 W	liq.
a₂	10	CH3 d-str	2967	C	ia		2967 M	liq.
a₂	11	CH3 d-deform	1451	C	ia		1451 S	liq.
a₂	12	CH2 twist	1278	C	ia		1278 W	liq.
a₂	13	CH3 rock	940	D	ia		940 VW	liq.
a₂	14	Torsion	216	C	ia				MW ( ?/?)
b₁	15	CH3 d-str	2968	C	2968	gas
b₁	16	CH3 s-str	2887	C	2887	gas			OV(ν₃)
b₁	17	CH3 d-deform	1464	C	1464	gas
b₁	18	CH3 s-deform	1378	C	1378	gas
b₁	19	CH2 wag	1338	C	1338	gas	1338 M	liq.
b₁	20	CC str	1054	C	1054	gas	1054 M	liq.
b₁	21	CH3 rock	922	C	922	gas
b₂	22	CH3 d-str	2973	C	2973	gas
b₂	23	CH2 a-str	2968	C	2968	gas
b₂	24	CH3 d-deform	1472	C	1472	gas
b₂	25	CH3 rock	1192	C	1192	gas
b₂	26	CH2 rock	748	C	748	gas
b₂	27	Torsion	268	C					MW ( ?/?)

Source: Shimanouchi, 1972

Notes

Strong

Medium

Weak

Very weak

Inactive

Overlapped by band indicated in parentheses.

Torsional Frequency calculated from microwave spectroscopic data.

3~6 cm^-1 uncertainty

6~15 cm^-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, Notes

Pittam and Pilcher, 1972
Pittam, D.A.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 8.-Methane, ethane, propane, n-butane and 2-methylpropane, J. Chem. Soc. Faraday Trans. 1, 1972, 68, 2224-2229. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Rossini, 1934
Rossini, F.D., Calorimetric determination of the heats of combustion of ethane, propane, normal butane, and normal pentane, J. Res. NBS, 1934, 12, 735-750. [all data]

Guinchant, 1918
Guinchant, M.J., Etude sur la fonction acide dans les derives metheniques et methiniques, Ann. Chem., 1918, 10, 30-84. [all data]

Chao J., 1973
Chao J., Ideal gas thermodynamic properties of ethane and propane, J. Phys. Chem. Ref. Data, 1973, 2, 427-438. [all data]

Pitzer K.S., 1944
Pitzer K.S., Thermodynamics of gaseous paraffins. Specific heat and related properties, Ind. Eng. Chem., 1944, 36, 829-831. [all data]

Ernst G., 1970
Ernst G., Ideal and real gas state heat capacities Cp of C3H8, i-C4H10, C2F5Cl, CH2ClCF3, CF2ClCFCl2, and CHF2Cl, J. Chem. Thermodyn., 1970, 2, 787-791. [all data]

Kistiakowsky G.B., 1940
Kistiakowsky G.B., The low temperature gaseous heat capacities of certain C3 hydrocarbons, J. Chem. Phys., 1940, 8, 970-977. [all data]

Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B., Gaseous heat capacities. II, J. Chem. Phys., 1940, 8, 610-618. [all data]

Dailey B.P., 1943
Dailey B.P., The heat capacities at higher temperatures of ethane and propane, J. Am. Chem. Soc., 1943, 65, 42-44. [all data]

Kemp and Egan, 1938
Kemp, J.D.; Egan, C.J., Hindered rotation of the methyl groups in propane. The heat capacity, vapor pressure, heats of fusion and vaporization of propane. Entropy and density of the gas, J. Am. Chem. Soc., 1938, 60, 1521-1525. [all data]

Vas'kov, 1982
Vas'kov, E.T., Heat capacity of propane, Deposited Doc., 1982, VINITI 1728-82, 1-15. [all data]

Goodwin, 1978
Goodwin, R.D., Specific heats of saturated and compressed liquid propane, J. Res., 1978, NBS 83, 449-458. [all data]

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Klipping and Schmidt, 1965
Klipping, G.; Schmidt, F., Temperature Measurement with the Vapor Pressure Thermometer, Kaeltetechnik, 1965, 17, 382-4. [all data]

Harteck and Edse, 1938
Harteck, P.; Edse, R., Vapor-pressure Measurement of Propane, Z. Phys. Chem., Abt. A, 1938, 182, 220. [all data]

Hicks-Brunn and Bruun, 1936
Hicks-Brunn, M.M.; Bruun, J.H., The Freezing and Boiling Point of Propane, J. Am. Chem. Soc., 1936, 58, 810-2. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Younglove and Ely, 1987
Younglove, B.A.; Ely, J.F., Thermophysical Properties of Fluids II. Methane, Ethane, Propane, Isobutane, and Normal Butane, J. Phys. Chem. Ref. Data, 1987, 16, 577. [all data]

Goodwin and Haynes, 1982
Goodwin, R.D.; Haynes, W.M., Thermophysical Properties of Propane from 85 to 700 K at Pressures to 70 MPa, NBS Monogr. (U. S.) No. 170, 249 pp., 1982. [all data]

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Barber, Kay, et al., 1982
Barber, J.R.; Kay, W.B.; Teja, A.S., A study of the volumetric and phase behavior of binary systems: part I. critical properties of propane + perfluorocyclobutane mixtures., AIChE J., 1982, 28, 134-8. [all data]

Meyer, 1941
Meyer, R.E., , Ph.D. Thesis, Penn. State Univ., Univ. Park, PA, 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]

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]

Majer, Sváb, et al., 1980
Majer, V.; Sváb, L.; Svoboda, V., Enthalpies of vaporization and cohesive energies for a group of chlorinated hydrocarbons, The Journal of Chemical Thermodynamics, 1980, 12, 9, 843-847, https://doi.org/10.1016/0021-9614(80)90028-2 . [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Reidel, 1938
Reidel, L., Z. Ges. Kalte-Ind., 1938, 45, 221. [all data]

Helgeson and Sage, 1967
Helgeson, N.L.; Sage, B.H., Latent Heat of Vaporization of Propane, J. Chem. Eng. Data, 1967, 12, 1, 47-49, https://doi.org/10.1021/je60032a015 . [all data]

Rips, 1963
Rips, S.M., On a Feasible Level of Filling in of Reservoires by Liquid Hydrocarbons, Khim. Prom. (Moscow), 1963, 8, 610-613. [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]

Perkins, Ochoa, et al., 2009
Perkins, Richard A.; Ochoa, Jesus C. Sanchez; Magee, Joseph W., Thermodynamic Properties of Propane. II. Molar Heat Capacity at Constant Volume from (85 to 345) K with Pressures to 35 MPa, J. Chem. Eng. Data, 2009, 54, 12, 3192-3201, https://doi.org/10.1021/je900137r . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Takeda, Oguni, et al., 1990
Takeda, K.; Oguni, M.; Suga, H., A DTA apparatus for vapour-deposited samples. Characterisation of some vapour-deposited hydrocarbons, Thermochim. Acta, 1990, 158(1), 195-203. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
P_c	Critical pressure
P_triple	Triple point pressure
S°_liquid	Entropy of liquid at standard conditions
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
T_trs	Temperature of phase transition
V_c	Critical volume
ΔH_trs	Enthalpy of phase transition
ΔS_trs	Entropy of phase transition
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_subH	Enthalpy of sublimation
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
Δ_vapS	Entropy of vaporization
ρ_c	Critical density

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Propane

Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Phase change data

Enthalpy of vaporization

Enthalpy of vaporization

Entropy of vaporization

Antoine Equation Parameters

Enthalpy of sublimation

Enthalpy of fusion

Temperature of phase transition

Enthalpy of phase transition

Entropy of phase transition

Vibrational and/or electronic energy levels

Symmetry: C2ν Symmetry Number σ = 2

Notes

References

Notes

Symmetry: C_2ν Symmetry Number σ = 2