Propyne
- Formula: C3H4
- Molecular weight: 40.0639
- IUPAC Standard InChI: InChI=1S/C3H4/c1-3-2/h1H,2H3
- IUPAC Standard InChIKey: MWWATHDPGQKSAR-UHFFFAOYSA-N
- CAS Registry Number: 74-99-7
- 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: Methylacetylene; 1-Propyne; Allylene; Propine; CH3C≡CH; Acetylene, methyl-
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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| ΔfH°gas | 44.32 ± 0.21 | kcal/mol | Ccb | Wagman, Kilpatrick, et al., 1945 | Unpublished work of E. J. Prosen; ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 7.976 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended values are in good agreement with other statistically calculated values [ Wagman D.D., 1945, Daykin P.N., 1962].; GT |
| 8.769 | 100. | ||
| 10.14 | 150. | ||
| 11.61 | 200. | ||
| 13.78 | 273.15 | ||
| 14.51 | 298.15 | ||
| 14.57 | 300. | ||
| 17.34 | 400. | ||
| 19.74 | 500. | ||
| 21.80 | 600. | ||
| 23.59 | 700. | ||
| 25.148 | 800. | ||
| 26.520 | 900. | ||
| 27.727 | 1000. | ||
| 28.783 | 1100. | ||
| 29.711 | 1200. | ||
| 30.521 | 1300. | ||
| 31.231 | 1400. | ||
| 31.855 | 1500. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 13.76 | 272.28 | Kistiakowsky G.B., 1940 | Other experimental values of heat capacity [ Kistiakowsky G.B., 1940, 2] were measured with large uncertainties.; GT |
| 14.58 | 299.59 | ||
| 15.56 | 332.83 | ||
| 16.52 | 369.21 |
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.
Wagman, Kilpatrick, et al., 1945
Wagman, D.D.; Kilpatrick, J.E.; Pitzer, K.S.; Rossini, F.D.,
Heats, equilibrium constants, and free energies of formation of the acetylene hydrocarbons through the pentynes, to 1,500° K,
J. Res. NBS, 1945, 35, 467-496. [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]
Wagman D.D., 1945
Wagman D.D.,
Heats, equilibrium constants, and free energies of formation of the acetylene hydrocarbons through the pentynes to 1500 K,
J. Res. Nat. Bur. Stand., 1945, 35, 467-496. [all data]
Daykin P.N., 1962
Daykin P.N.,
Potential energy constants, rotational distortion constants, and thermodynamic properties of methylacetylenes,
J. Chem. Phys., 1962, 37, 1087-1094. [all data]
Kistiakowsky G.B., 1940
Kistiakowsky G.B.,
Gaseous heat capacities. II,
J. Chem. Phys., 1940, 8, 610-618. [all data]
Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B.,
The low temperature gaseous heat capacities of certain C3 hydrocarbons,
J. Chem. Phys., 1940, 8, 970-977. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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