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:
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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

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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

Ion clustering data

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Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C₃H₇⁺ + Propane = (C₃H₇⁺ • Propane )

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

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

C₄H₉⁺ + Propane = (C₄H₉⁺ • Propane )

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

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

+ Propane = ( • Propane )

By formula: Co⁺ + C₃H₈ = (Co⁺ • C₃H₈)

Enthalpy of reaction

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

+ Propane = ( • Propane )

By formula: Fe⁺ + C₃H₈ = (Fe⁺ • C₃H₈)

Enthalpy of reaction

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

References

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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]

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]

Notes

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Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
T	Temperature
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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