Propane
- Formula: C3H8
- Molecular weight: 44.0956
- 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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Reaction thermochemistry data
Go To: Top, 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 |
---|---|---|---|---|---|
ΔrH° | 419.4 ± 2.0 | kcal/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 419.5 ± 4.8 | kcal/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrH° | 419.0 ± 2.0 | kcal/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 411.4 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 411.5 ± 4.9 | kcal/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.5 ± 1.2 | kcal/mol | Chyd | Kistiakowsky and Nickle, 1951 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.85 ± 0.50 kcal/mol; ALS |
ΔrH° | -29.87 ± 0.10 | kcal/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1935 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -30.115 ± 0.013 kcal/mol; At 355 °K; ALS |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.20 ± 0.30 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -21.11 ± 0.69 kcal/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 |
---|---|---|---|---|---|
ΔrH° | -22.00 ± 0.50 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -22.9 ± 1.6 kcal/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 |
---|---|---|---|---|---|
ΔrH° | -30.24 ± 0.26 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -31.21 ± 0.13 kcal/mol; At 250 C; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -69.22 ± 0.15 | kcal/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -69.03 ± 0.14 kcal/mol; At 355 K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -70.54 ± 0.25 | kcal/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -71.28 ± 0.20 kcal/mol; At 355 °K; ALS |
By formula: H2 + C3H7Br = HBr + C3H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.85 ± 0.22 | kcal/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -10.77 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 415.6 ± 2.0 | kcal/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 407.2 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: C3H7+ + C3H8 = (C3H7+ • C3H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.4 | cal/mol*K | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
By formula: C4H9+ + C3H8 = (C4H9+ • C3H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.6 | kcal/mol | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
By formula: Fe+ + C3H8 = (Fe+ • C3H8)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.9 (+1.0,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Co+ + C3H8 = (Co+ • C3H8)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30.8 (+1.4,-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 |
---|---|---|---|---|---|
ΔrH° | -73.11 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
By formula: C5O5W (g) + C3H8 (g) = C8H8O5W (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -8.1 ± 2.0 | kcal/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 |
---|---|---|---|---|---|
ΔrH° | -15.73 ± 0.16 | kcal/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
By formula: H2 + C3H7Cl = C3H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.94 ± 0.17 | kcal/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
By formula: C3H7Br + H2 = HBr + C3H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.57 | kcal/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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