Propane
- Formula: C3H8
- Molecular weight: 44.0956
- IUPAC Standard InChI:
- InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
- Download the identifier in a file.
- 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
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes
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 |
---|---|---|---|---|---|
![]() | -104.7 ± 0.50 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | ALS |
![]() | -103.8 ± 0.59 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; ALS |
Quantity | Value | Units | Method | Reference | Comment |
![]() | -2219.2 ± 0.46 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | Corresponding «DELTA»fHºgas = -104.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
![]() | -2204.0 ± 0.54 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; Corresponding «DELTA»fHºgas = -119.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
![]() | -2219.9 ± 0.50 | kJ/mol | Ccb | Rossini, 1934 | Corresponding «DELTA»fHºgas = -103.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
![]() | -2207. | kJ/mol | Ccb | Guinchant, 1918 | Corresponding «DELTA»fHºgas = -117. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,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
Cp,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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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
Cp,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 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
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- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 1755. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
![]() | 1755. ± 20. | kJ/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
![]() | 1753. ± 8.4 | kJ/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 1721. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
![]() | 1722. ± 21. | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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 |
![]() | -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 |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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 |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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 |
By formula: 2H2 + C3H6Cl2 = C3H8 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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 |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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 |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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 |
By formula: H2 + C3H7Br = HBr + C3H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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 |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 1739. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 1704. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: C3H7+ + C3H8 = (C3H7+ C3H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 56.9 | kJ/mol | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 123. | J/mol*K | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
By formula: C4H9+ + C3H8 = (C4H9+ C3H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 28. | kJ/mol | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 93.3 | J/mol*K | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
By formula: Fe+ + C3H8 = (Fe+ C3H8)
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
74.9 (+4.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Co+ + C3H8 = (Co+ C3H8)
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
129. (+5.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
C3H7BrMg (solution) + (g) =
(solution) + Br2Mg (solution)
By formula: C3H7BrMg (solution) + HBr (g) = C3H8 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -305.9 ± 2.2 | kJ/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
By formula: C5O5W (g) + C3H8 (g) = C8H8O5W (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -33.9 ± 8.4 | kJ/mol | EqG | Brown, Ishikawa, et al., 1990 | Temperature range: ca. 300-350 K; MS |
By formula: H2 + C3H7Cl = C3H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -65.81 ± 0.67 | kJ/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
By formula: H2 + C3H7Cl = C3H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -58.32 ± 0.71 | kJ/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
By formula: C3H7Br + H2 = HBr + C3H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -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
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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:
Cp,gas Constant pressure heat capacity of gas Cp,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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