- Formula: C5H6
- Molecular weight: 66.1011
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: XAJOPMVSQIBJCW-PLNGDYQASA-N
- CAS Registry Number: 1574-40-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: cis-Penten-1-yne; cis-2-Penten-4-yne; cis-3-Penten-1-yne; Z-3-Penten-1-yne; (Z)-CH3CH=CHC«equiv»CH; Pent-1-yn-3-ene, (Z)-; 3-Pentene-1-yne, (Z)-; (3Z)-3-Penten-1-yne
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.
3 + =
By formula: 3H2 + C5H6 = C5H12
|rH°||-96.8 ± 0.1||kcal/mol||Chyd||Roth, Adamczak, et al., 1991||liquid phase|
|rH°||-95.6 ± 1.1||kcal/mol||Chyd||Skinner and Snelson, 1959||liquid phase; solvent: Acetic acid|
By formula: C5H6 = C5H6
|rH°||-0.3 ± 1.9||kcal/mol||Eqk||Roth, Hopf, et al., 1994||gas phase; At 959 K|
By formula: C5H6 = C5H6
|rH°||0.9 ± 0.8||kcal/mol||Eqk||Roth, Hopf, et al., 1994||gas phase; At 959 K|
Go To: Top, Reaction thermochemistry data, Notes
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]
Skinner and Snelson, 1959
Skinner, H.A.; Snelson, A., Heats of hydrogenation Part 3., Trans. Faraday Soc., 1959, 55, 405-407. [all data]
Roth, Hopf, et al., 1994
Roth, W.R.; Hopf, H.; Horn, C., Propargyl-Stabilisierungsenergie, Chem. Ber., 1994, 127, 1781-1795. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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