- Formula: C4H2
- Molecular weight: 50.0587
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: LLCSWKVOHICRDD-UHFFFAOYSA-N
- CAS Registry Number: 460-12-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butadiyne; Biacetylene; Biethynyl; Diacetylene; HC«equiv»CC«equiv»CH; buta-1,3-diyne
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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
|fH°gas||464.||kJ/mol||Kin||Kiefer, Sidhu, et al., 1992||ALS|
Constant pressure heat capacity of gas
|Cp,gas (J/mol*K)||Temperature (K)||Reference||Comment|
|30.30||50.||Dorofeeva O.V., 1991||Recommended values are in good agreement with other statistically calculated values [52FER/WER]. There is an appreciable difference with values calculated by [ Dessau L., 1988] because these authors used the estimated values of vibrational frequencies instead of experimental ones.; GT|
|73.7 ± 1.0||298.15|
Go To: Top, Gas phase thermochemistry data, Notes
Kiefer, Sidhu, et al., 1992
Kiefer, J.H.; Sidhu, S.S.; Kern, R.D.; Xie, K.; Chen, H.; Harding, L.B., The homogeneous pyrolysis of acetylene II: the high temperature radical chain mechanism, Combust. Sci. Technol., 1992, 82, 101-130. [all data]
Dorofeeva O.V., 1991
Dorofeeva O.V., Thermodynamic properties of linear carbon chain molecules with conjugated triple bonds. Part I. Polyacetylenes, H(CC)nH (n=2-6), cyanopolyacetylenes, H(CC)nCN (n=1-5), and dicyanopolyacetylenes, NC(CC)nCN (n=1-4), Thermochim. Acta, 1991, 178, 273-286. [all data]
Dessau L., 1988
Dessau L., Vibrations and thermodynamic functions of long-chain acetylenes, Z. Phys. Chem. (Leipzig), 1988, 269, 187-190. [all data]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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