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Isoprene

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Gas phase thermochemistry data

Go To: Top, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas18.09 ± 0.24kcal/molCmFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Deltacgas-761.62 ± 0.23kcal/molCmFraser and Prosen, 1955Corresponding «DELTA»fgas = 18.10 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas75.229cal/mol*KN/AMesserly J.F., 1970GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.67150.Thermodynamics Research Center, 1997Values of S(T) and Cp(T) from other statistical mechanics calculation [ Compton D.A.C., 1977] are in close agreement with recommended ones.; GT
11.41100.
14.57150.
17.88200.
22.86273.15
24.543298.15
24.668300.
30.973400.
36.367500.
40.877600.
44.682700.
47.94800.
50.74900.
53.181000.
55.281100.
57.101200.
58.681300.
60.041400.
61.231500.

Condensed phase thermochemistry data

Go To: Top, Gas 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltacliquid-754.83 ± 0.38kcal/molCcbJessup, 1938Reanalyzed by Cox and Pilcher, 1970, Original value = -754.52 ± 0.38 kcal/mol; Corresponding «DELTA»fliquid = 11.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid54.560cal/mol*KN/AMesserly, Todd, et al., 1970DH
liquid54.78cal/mol*KN/AWarfield and Petree, 1965DH
liquid54.80cal/mol*KN/ABekkedahl and Wood, 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
36.109298.15Messerly, Todd, et al., 1970T = 12 to 320 K.; DH
36.45298.15Warfield and Petree, 1965T = 20 to 300 K. A reexamination of 37BEK/WOO.; DH
36.47298.2Bekkedahl and Wood, 1937T = 20 to 300 K.; DH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase 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]

Jessup, 1938
Jessup, R.S., Heat of combustion of isoprene, J. Res. NBS, 1938, 20, 589-597. [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]

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]

Warfield and Petree, 1965
Warfield, R.W.; Petree, M.C., Thermodynamic properties of natural rubber and isoprene, Die Makromol. Chemie, 1965, 84, 1-8. [all data]

Bekkedahl and Wood, 1937
Bekkedahl, N.; Wood, L.A., Entropy of isoprene from heat-capacity measurements, J. Res. NBS, 1937, 19, 551-558. [all data]


Notes

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