1,3-Pentadiene, (Z)-
- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChIKey: PMJHHCWVYXUKFD-PLNGDYQASA-N
- CAS Registry Number: 1574-41-0
- 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. - Stereoisomers:
- Other names: (Z)-1,3-Pentadiene; cis-Piperylene; cis-1-Methylbutadiene; cis-1,3-Pentadiene; (Z)-CH2=CHCH=CHCH3; 1,cis-3-Pentadiene; Pentadiene-1,3, cis-; (Z)-penta-1,3-diene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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 | 19.77 ± 0.22 | kcal/mol | Cm | Fraser and Prosen, 1955 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -763.30 ± 0.21 | kcal/mol | Cm | Fraser and Prosen, 1955 | Corresponding ΔfHºgas = 19.78 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 77.151 | cal/mol*K | N/A | Messerly J.F., 1970 | GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.06 | 50. | Thermodynamics Research Center, 1997 | Entropy values from other statistical thermodynamics calculation [ Compton D.A.C., 1977] are substantially lower (up to 14 J/mol*K) than recommended ones and experimental value of S(298.15 K). Discrepancies in Cp(T) values do not exceed 2.5 J/mol*K. Values of thermodynamic functions calculated from data for lower alkenes and alkadienes by a method of increments [ Kilpatrick J.E., 1949] agree with TRC values within 1-3 J/mol*K.; GT |
13.03 | 100. | ||
15.21 | 150. | ||
17.57 | 200. | ||
21.69 | 273.15 | ||
23.23 | 298.15 | ||
23.34 | 300. | ||
29.496 | 400. | ||
35.043 | 500. | ||
39.763 | 600. | ||
43.762 | 700. | ||
47.18 | 800. | ||
50.12 | 900. | ||
52.63 | 1000. | ||
54.83 | 1100. | ||
56.72 | 1200. | ||
58.34 | 1300. | ||
59.78 | 1400. | ||
60.99 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 55.748 | cal/mol*K | N/A | Messerly, Todd, et al., 1970 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
35.031 | 298.15 | Messerly, Todd, et al., 1970 | T = 12 to 320 K. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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.
Individual Reactions
By formula: C5H8 = C5H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.01 ± 0.18 | kcal/mol | Eqk | Egger and Benson, 1965 | gas phase; Heat of isomerization |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Kilpatrick J.E., 1949
Kilpatrick J.E.,
Heats, equilibrium constants, and free energies of formation of the C3 to C5 diolefins, styrene, and the methylstyrenes,
J. Res. Nat. Bur. Stand., 1949, 42, 225-240. [all data]
Messerly, Todd, et al., 1970
Messerly, J.F.; Todd, S.S.; Guthrie, G.B.,
Chemical thermodynamic properties of the pentadienes,
J. Chem. Eng. Data, 1970, 15, 227-232. [all data]
Egger and Benson, 1965
Egger, K.W.; Benson, S.W.,
Nitric oxide and iodine catalyzed isomerization of olefins. IV. Thermodynamic data from equilibrium studies of the geometrical isomerization of 1,3-pentadiene,
J. Am. Chem. Soc., 1965, 87, 3311-3314. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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