- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: PMJHHCWVYXUKFD-SNAWJCMRSA-N
- CAS Registry Number: 2004-70-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: (E)-1,3-Pentadiene; trans-Piperylene; trans-1-Methylbutadiene; trans-1,3-Pentadiene; (E)-CH2=CHCH=CHCH3; 1,trans-3-Pentadiene; Pentadiene-1,3,trans; trans-penta-1,3-diene
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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
|fH°gas||75.77 ± 0.67||kJ/mol||Cm||Fraser and Prosen, 1955||ALS|
|cH°gas||-3186.7 ± 0.63||kJ/mol||Cm||Fraser and Prosen, 1955||Corresponding «DELTA»fHºgas = 75.81 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS|
|S°gas||315.60||J/mol*K||N/A||Messerly J.F., 1970||GT|
Constant pressure heat capacity of gas
|Cp,gas (J/mol*K)||Temperature (K)||Reference||Comment|
|36.96||50.||Thermodynamics Research Center, 1997||Comparison with other statistical thermodynamics calculations [ Petrova-Kuminskaya S.V., 1986, Compton D.A.C., 1977] show that S and Cp values from TRC Tables are possibly underestimated at high temperatures.; GT|
Go To: Top, Gas phase thermochemistry data, Notes
Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J., Heats of combustion and isomerization of six pentadienes and spiropentane, J. Res. NBS, 1955, 54, 143-148. [all data]
Messerly J.F., 1970
Messerly J.F., Chemical thermodynamic properties of the pentadienes. Third law studies, J. Chem. Eng. Data, 1970, 15, 227-232. [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]
Petrova-Kuminskaya S.V., 1986
Petrova-Kuminskaya S.V., Thermodynamic properties of 1,4-pentadiene and trans-1,3-pentadiene calculated by statistical thermodynamics method, Vestn. Beloruss. Univ., Ser. 2, 1986, 6-8. [all data]
Compton D.A.C., 1977
Compton D.A.C., Conformations of conjugated hydrocarbons. Part 2. A spectroscopic and thermodynamic study of cis- and trans-penta-1,3-diene, J. Chem. Soc. Perkin Trans. 2, 1977, 1311-1315. [all data]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions cH°gas Enthalpy of combustion of gas at standard conditions fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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