Propane

Formula: C₃H₈
Molecular weight: 44.0956
IUPAC Standard InChI:
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3

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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
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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

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes

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
_fH°_gas	-104.7 ± 0.50	kJ/mol	Ccb	Pittam and Pilcher, 1972	ALS
_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
_cH°_gas	-2219.2 ± 0.46	kJ/mol	Ccb	Pittam and Pilcher, 1972	Corresponding «DELTA»_fHº_gas = -104.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
_cH°_gas	-2204.0 ± 0.54	kJ/mol	Ccb	Prosen and Rossini, 1945	Hf derived from Heat of Hydrogenation; Corresponding «DELTA»_fHº_gas = -119.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
_cH°_gas	-2219.9 ± 0.50	kJ/mol	Ccb	Rossini, 1934	Corresponding «DELTA»_fHº_gas = -103.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
_cH°_gas	-2207.	kJ/mol	Ccb	Guinchant, 1918	Corresponding «DELTA»_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
_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

Reaction thermochemistry data

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

Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões

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

C₃H₇^- + = Propane

By formula: C₃H₇^- + H⁺ = C₃H₈

Quantity	Value	Units	Method	Reference	Comment
_rH°	1755. ± 8.4	kJ/mol	Bran	DePuy, Gronert, et al., 1989	gas phase; B
_rH°	1755. ± 20.	kJ/mol	Bran	Peerboom, Rademaker, et al., 1992	gas phase; B
_rH°	1753. ± 8.4	kJ/mol	Bran	DePuy, Bierbaum, et al., 1984	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
_rG°	1721. ± 8.8	kJ/mol	H-TS	DePuy, Gronert, et al., 1989	gas phase; B
_rG°	1722. ± 21.	kJ/mol	H-TS	Peerboom, Rademaker, et al., 1992	gas phase; B

+ = Propane

By formula: C₃H₆ + H₂ = C₃H₈

Quantity	Value	Units	Method	Reference	Comment
_rH°	-123.4 ± 5.0	kJ/mol	Chyd	Kistiakowsky and Nickle, 1951	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -124.9 ± 2.1 kJ/mol; ALS
_rH°	-125.0 ± 0.42	kJ/mol	Chyd	Kistiakowsky, Ruhoff, et al., 1935	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -126.00 ± 0.054 kJ/mol; At 355 °K; ALS

+ = Propane +

By formula: H₂ + C₃H₇F = C₃H₈ + HF

Quantity	Value	Units	Method	Reference	Comment
_rH°	-84.5 ± 1.3	kJ/mol	Chyd	Lacher, Kianpour, et al., 1956	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -88.3 ± 2.9 kJ/mol; %hf298_gas[kcal/mol]=-66.97±0.71; Kolesov and Kozina, 1986; ALS

+ = Propane +

By formula: H₂ + C₃H₇F = C₃H₈ + HF

Quantity	Value	Units	Method	Reference	Comment
_rH°	-92.0 ± 2.1	kJ/mol	Chyd	Lacher, Kianpour, et al., 1956	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -95.7 ± 6.7 kJ/mol; %hf298_gas[kcal/mol]=-66.71±0.62; Kolesov and Kozina, 1986; ALS

2 + = Propane + 2

By formula: 2H₂ + C₃H₆Cl₂ = C₃H₈ + 2HCl

Quantity	Value	Units	Method	Reference	Comment
_rH°	-126.5 ± 1.1	kJ/mol	Chyd	Lacher, Amador, et al., 1967	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -130.60 ± 0.54 kJ/mol; At 250 C; ALS

2 + = Propane

By formula: 2H₂ + C₃H₄ = C₃H₈

Quantity	Value	Units	Method	Reference	Comment
_rH°	-289.6 ± 0.63	kJ/mol	Chyd	Conn, Kistiakowsky, et al., 1939	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -288.8 ± 0.59 kJ/mol; At 355 K; ALS

2 + = Propane

By formula: 2H₂ + C₃H₄ = C₃H₈

Quantity	Value	Units	Method	Reference	Comment
_rH°	-295.1 ± 1.0	kJ/mol	Chyd	Kistiakowsky, Ruhoff, et al., 1936	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -298.2 ± 0.84 kJ/mol; At 355 °K; ALS

+ = + Propane

By formula: H₂ + C₃H₇Br = HBr + C₃H₈

Quantity	Value	Units	Method	Reference	Comment
_rH°	-45.40 ± 0.92	kJ/mol	Chyd	Davies, Lacher, et al., 1965	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -45.06 kJ/mol; ALS

+ = Propane

By formula: C₃H₇^- + H⁺ = C₃H₈

Quantity	Value	Units	Method	Reference	Comment
_rH°	1739. ± 8.4	kJ/mol	Bran	DePuy, Gronert, et al., 1989	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
_rG°	1704. ± 8.8	kJ/mol	H-TS	DePuy, Gronert, et al., 1989	gas phase; B

C₃H₇⁺ + Propane = (C₃H₇⁺ Propane )

By formula: C₃H₇⁺ + C₃H₈ = (C₃H₇⁺ C₃H₈)

Quantity	Value	Units	Method	Reference	Comment
_rH°	56.9	kJ/mol	PHPMS	Sunner, Hirao, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
_rS°	123.	J/mol*K	PHPMS	Sunner, Hirao, et al., 1989	gas phase; M

C₄H₉⁺ + Propane = (C₄H₉⁺ Propane )

By formula: C₄H₉⁺ + C₃H₈ = (C₄H₉⁺ C₃H₈)

Quantity	Value	Units	Method	Reference	Comment
_rH°	28.	kJ/mol	PHPMS	Sunner, Hirao, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
_rS°	93.3	J/mol*K	PHPMS	Sunner, Hirao, et al., 1989	gas phase; M

+ Propane = ( Propane )

By formula: Fe⁺ + C₃H₈ = (Fe⁺ C₃H₈)

Enthalpy of reaction

_rH° (kJ/mol)	T (K)	Method	Reference	Comment
74.9 (+4.2,-0.)		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID; M

+ Propane = ( Propane )

By formula: Co⁺ + C₃H₈ = (Co⁺ C₃H₈)

Enthalpy of reaction

_rH° (kJ/mol)	T (K)	Method	Reference	Comment
129. (+5.9,-0.)		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID; M

C₃H₇BrMg (solution) + (g) = Propane (solution) + Br₂Mg (solution)

By formula: C₃H₇BrMg (solution) + HBr (g) = C₃H₈ (solution) + Br₂Mg (solution)

Quantity	Value	Units	Method	Reference	Comment
_rH°	-305.9 ± 2.2	kJ/mol	RSC	Holm, 1981	solvent: Diethyl ether; MS

C₅O₅W (g) + Propane (g) = C₈H₈O₅W (g)

By formula: C₅O₅W (g) + C₃H₈ (g) = C₈H₈O₅W (g)

Quantity	Value	Units	Method	Reference	Comment
_rH°	-33.9 ± 8.4	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K; MS

+ = Propane +

By formula: H₂ + C₃H₇Cl = C₃H₈ + HCl

Quantity	Value	Units	Method	Reference	Comment
_rH°	-65.81 ± 0.67	kJ/mol	Chyd	Davies, Lacher, et al., 1965	gas phase; ALS

+ = Propane +

By formula: H₂ + C₃H₇Cl = C₃H₈ + HCl

Quantity	Value	Units	Method	Reference	Comment
_rH°	-58.32 ± 0.71	kJ/mol	Chyd	Davies, Lacher, et al., 1965	gas phase; ALS

+ = + Propane

By formula: C₃H₇Br + H₂ = HBr + C₃H₈

Quantity	Value	Units	Method	Reference	Comment
_rH°	-56.78	kJ/mol	Chyd	Davies, Lacher, et al., 1965	gas phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]

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]

Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M., Stabilization of Cycloalkyl Carbanions in the Gas Phase, Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608 . [all data]

DePuy, Bierbaum, et al., 1984
DePuy, C.H.; Bierbaum, V.M.; Damrauer, R., Relative Gas-Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1984, 106, 4051. [all data]

Kistiakowsky and Nickle, 1951
Kistiakowsky, G.B.; Nickle, A.G., Ethane-ethylene and propane-propylene equilibria, Faraday Discuss. Chem. Soc., 1951, 10, 175-187. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons, J. Am. Chem. Soc., 1935, 57, 876-882. [all data]

Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Park, J.D., Reaction heats of organic halogen compounds. VI. The catalytic hydrogenation of some alkyl fluorides, J. Phys. Chem., 1956, 60, 1454-1455. [all data]

Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P., Thermochemistry of organic and organohalogen compounds, Russ. Chem. Rev., 1986, 55, 912. [all data]

Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D., Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane, Trans. Faraday Soc., 1967, 63, 1608-1611. [all data]

Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes, J. Am. Chem. Soc., 1939, 61, 1868-1876. [all data]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene, J. Am. Chem. Soc., 1936, 58, 146-153. [all data]

Davies, Lacher, et al., 1965
Davies, J.; Lacher, J.R.; Park, J.D., Reaction heats of organic compounds. Part 4.-Heats of hydrogenation of n- and iso-Propyl bromides and chlorides, Trans. Faraday Soc., 1965, 61, 2413-2416. [all data]

Sunner, Hirao, et al., 1989
Sunner, J.A.; Hirao, K.; Kebarle, P., Hydride - Transfer Reactions. Temperature Dependence of Rate Constants for i-C3H7+ + HC(CH3)3 = C3H8 + C(CH3)3+. Clusters of i-C3H7+ and t-C4H9+ with Propane and Isobutane, J. Phys. Chem., 1989, 93, 10, 4010, https://doi.org/10.1021/j100347a030 . [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Holm, 1981
Holm, T., J. Chem. Soc., Perkin Trans. II, 1981, 464.. [all data]

Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M., J. Am. Chem. Soc., 1990, 112, 2530. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References

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
T	Temperature
_cH°_gas	Enthalpy of combustion of gas at standard conditions
_fH°_gas	Enthalpy of formation of gas at standard conditions
_fH°_liquid	Enthalpy of formation of liquid at standard conditions
_rG°	Free energy of reaction at standard conditions
_rH°	Enthalpy of reaction at standard conditions
_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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