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1,4-Pentadiene

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Gas phase thermochemistry data

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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
Deltafgas106.3 ± 1.3kJ/molCmFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Deltacgas-3217.2 ± 1.3kJ/molCmFraser and Prosen, 1955Corresponding «DELTA»fgas = 106.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas333.97J/mol*KN/AMesserly J.F., 1970GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
43.0550.Thermodynamics Research Center, 1997Maximum discrepancies with other statistically calculated values [ Petrova-Kuminskaya S.V., 1986] amount to about 6 and 11 J/mol*K for S(1000 K) and Cp(298.15 K).; GT
53.50100.
62.22150.
72.77200.
91.38273.15
98.24298.15
98.75300.
125.91400.
149.93500.
170.10600.
186.99700.
201.5800.
213.7900.
224.31000.
233.41100.
241.41200.
248.21300.
254.21400.
259.41500.

Condensed phase thermochemistry data

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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
liquid248.86J/mol*KN/AMesserly, Todd, et al., 1970 
liquid338.7J/mol*KN/AParks, Todd, et al., 1936Extrapolation below 80 K, 47.11 J/mol*K.

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
146.82298.15Messerly, Todd, et al., 1970T = 12 to 320 K.
146.61292.5Parks, Todd, et al., 1936T = 82 to 293 K. Value is unsmoothed experimental datum.

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

2Hydrogen + 1,4-Pentadiene = Pentane

By formula: 2H2 + C5H8 = C5H12

Quantity Value Units Method Reference Comment
Deltar-252.0 ± 0.63kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -254.3 ± 0.63 kJ/mol; At 355 °K; ALS

Chlorine anion + 1,4-Pentadiene = (Chlorine anion bullet 1,4-Pentadiene)

By formula: Cl- + C5H8 = (Cl- bullet C5H8)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
15.300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

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]

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]

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]

Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Shomate, C.H., Thermal data on organic compounds. XVII. Some heat capacity, entropy and free energy data for five higher olefins, J. Am. Chem. Soc., 1936, 58, 2505-2508. [all data]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene, J. Am. Chem. Soc., 1936, 58, 146-153. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References