Propene
- Formula: C3H6
- Molecular weight: 42.0797
- IUPAC Standard InChIKey: QQONPFPTGQHPMA-UHFFFAOYSA-N
- CAS Registry Number: 115-07-1
- 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: Propylene; 1-Propene; Methylethylene; 1-Propylene; CH3CH=CH2; Methylethene; NCI-C50077; UN 1077; R 1270
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Gas phase 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:
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 |
---|---|---|---|---|---|
ΔfH°gas | 20.41 | kJ/mol | Eqk | Furuyama, Golden, et al., 1969 | ALS |
ΔfH°gas | 20.41 | kJ/mol | Cm | Lacher, Walden, et al., 1950 | Heat of hydrobromination; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -2057.8 ± 1.1 | kJ/mol | Cm | Wiberg and Fenoglio, 1968 | Corresponding ΔfHºgas = 19.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -2057.7 ± 0.6 | kJ/mol | Cm | Rossini and Knowlton, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2057.42 ± 0.62 kJ/mol; Corresponding ΔfHºgas = 19.7 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 |
---|---|---|---|
34.35 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended entropies and heat capacities are in good agreement with other statistically calculated values [ Crawford B.L., 1939, Kilpatrick J.E., 1946, Kilpatrick J.E., 1947, Chao J., 1975] as well as with ab initio value of S(298.15 K)=266.82 J/mol*K [ East A.L.L., 1997].; GT |
39.07 | 100. | ||
44.34 | 150. | ||
50.24 | 200. | ||
60.47 | 273.15 | ||
64.32 | 298.15 | ||
64.61 | 300. | ||
80.45 | 400. | ||
95.17 | 500. | ||
108.00 | 600. | ||
119.09 | 700. | ||
128.72 | 800. | ||
137.12 | 900. | ||
144.44 | 1000. | ||
150.83 | 1100. | ||
156.40 | 1200. | ||
161.25 | 1300. | ||
165.48 | 1400. | ||
169.18 | 1500. | ||
176.54 | 1750. | ||
181.90 | 2000. | ||
185.89 | 2250. | ||
188.91 | 2500. | ||
191.24 | 2750. | ||
193.08 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.52 | 148.2 | Bier K., 1974 | Please also see Kistiakowsky G.B., 1940, Kistiakowsky G.B., 1940, 2, Telfair D., 1942.; GT |
45.44 | 157.6 | ||
52.22 | 213.1 | ||
53.09 | 220.1 | ||
53.68 | 223.7 | ||
58.45 | 258.0 | ||
59.78 | 270. | ||
60.08 ± 0.13 | 272.29 | ||
61.45 | 280. | ||
63.43 | 291.1 | ||
63.79 ± 0.13 | 298.15 | ||
64.73 ± 0.13 | 299.33 | ||
64.71 | 300. | ||
67.89 | 320. | ||
67.88 ± 0.14 | 323.15 | ||
70.04 ± 0.17 | 333.86 | ||
71.03 | 340. | ||
71.78 ± 0.14 | 348.15 | ||
74.13 | 360. | ||
74.47 ± 0.15 | 365.15 | ||
75.02 ± 0.08 | 367.11 | ||
75.79 ± 0.15 | 373.15 | ||
79.85 ± 0.16 | 378.15 | ||
77.14 | 380. | ||
80.15 | 400. | ||
83.17 | 420. | ||
83.61 ± 0.17 | 423.15 | ||
86.09 | 440. | ||
87.44 ± 0.17 | 448.15 | ||
89.02 | 460. | ||
91.18 ± 0.18 | 473.15 | ||
91.91 | 480. | ||
94.76 | 500. | ||
96.18 | 510. |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Furuyama, Golden, et al., 1969
Furuyama, S.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the gas phase equilibria i-C3H7I = C3H6 + HI, n-C3H7I = i-C3H7I, and C3H6 + 2HI = C3H8 + I2,
J. Chem. Thermodyn., 1969, 1, 363-375. [all data]
Lacher, Walden, et al., 1950
Lacher, J.R.; Walden, C.H.; Lea, K.R.; Park, J.D.,
Vapor phase heats of hydrobromination of cyclopropane and propylene,
J. Am. Chem. Soc., 1950, 72, 331-333. [all data]
Wiberg and Fenoglio, 1968
Wiberg, K.B.; Fenoglio, R.A.,
Heats of formation of C4H6 hydrocarbons,
J. Am. Chem. Soc., 1968, 90, 3395-3397. [all data]
Rossini and Knowlton, 1937
Rossini, F.d.; Knowlton, J.W.,
Calorimetric determination of the heats of combustion of ethylene and propylene,
J. Res. NBS, 1937, 19, 249-262. [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]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Crawford B.L., 1939
Crawford B.L., Jr.,
The entropy and heat capacity of propylene,
J. Am. Chem. Soc., 1939, 61, 2980-2981. [all data]
Kilpatrick J.E., 1946
Kilpatrick J.E.,
Heat content, free energy function, entropy, and heat capacity of ethylene, propylene, and the four butenes to 1500 K,
J. Res. Nat. Bur. Stand, 1946, 37, 163-171. [all data]
Kilpatrick J.E., 1947
Kilpatrick J.E.,
Normal coordinate analysis of the vibrational frequencies of ethylene, propylene, cis-2-butene, trans-2-butene, and isobutene,
J. Res. Nat. Bur. Stand., 1947, 38, 191-209. [all data]
Chao J., 1975
Chao J.,
Ideal gas thermodynamic properties of ethylene and propylene,
J. Phys. Chem. Ref. Data, 1975, 4, 251-261. [all data]
East A.L.L., 1997
East A.L.L.,
Ab initio statistical thermodynamical models for the computation of third-law entropies,
J. Chem. Phys., 1997, 106, 6655-6674. [all data]
Bier K., 1974
Bier K.,
Thermodynamic properties of propylene from calorimetric measurements,
J. Chem. Thermodyn., 1974, 6, 1039-1052. [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]
Telfair D., 1942
Telfair D.,
Supersonic measurement of the heat capacity of propylene,
J. Chem. Phys., 1942, 10, 167-171. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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