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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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-67.9 ± 1.2kJ/molCcbFenwick, Harrop, et al., 1975Author was aware that data differs from previously reported values; ALS
Deltafgas-76.69 ± 0.92kJ/molCcbLebedeva and Katin, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -82. ± 1. kJ/mol; ALS
Deltafgas-70.7kJ/molCcbGray and Williams, 1959Private communication; ALS
Deltafgas-75.1kJ/molN/ABadoche, 1941Value computed using «DELTA»fHliquid° value of -118.4 kj/mol from Badoche, 1941 and «DELTA»vapH° value of 43.3 kj/mol from Lebedeva and Katin, 1972.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
162.46388.15Hales J.L., 1967GT
168.82408.15
176.98433.15
183.05453.15
188.99473.15
195.94498.15

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
Deltafliquid-114.8 ± 1.2kJ/molCcbFenwick, Harrop, et al., 1975Author was aware that data differs from previously reported values; ALS
Deltafliquid-120. ± 0.8kJ/molCcbLebedeva and Katin, 1972ALS
Deltafliquid-118.4kJ/molCcbBadoche, 1941Author's hf298_condensed=-31.02 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3783.12kJ/molCcbFenwick, Harrop, et al., 1975Author was aware that data differs from previously reported values; Corresponding «DELTA»fliquid = -114.77 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3778. ± 0.8kJ/molCcbLebedeva and Katin, 1972Corresponding «DELTA»fliquid = -120. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3779.5kJ/molCcbBadoche, 1941Author's hf298_condensed=-31.02 kcal/mol; Corresponding «DELTA»fliquid = -118.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
199.0298.15Fenwick, Harrop, et al., 1975, 2DH
208.8304.8Phillip, 1939DH
191.2297.2de Kolossowsky and Udowenko, 1933DH

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.

Fenwick, Harrop, et al., 1975
Fenwick, J.O.; Harrop, D.; Head, A.J., Thermodynamic properties of organic oxygen compounds. 41. Enthalpies of formation of eight ethers, J. Chem. Thermodyn., 1975, 7, 943-954. [all data]

Lebedeva and Katin, 1972
Lebedeva, N.D.; Katin, Yu.A., Heats of combustion of certain monosubstituted benzenes, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 1088. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Gray and Williams, 1959
Gray, P.; Williams, A., Chemistry of free radicals containing oxygen. Part 3.- Thermochemistry and reactivity of the higher alkoxyl radicals RO·, Trans. Faraday Soc., 1959, 55, 760-777. [all data]

Badoche, 1941
Badoche, M., No 19. - Chaleurs de combustion du phenol, du-m-cresol et del leurs ethers; par M. Marius BADOCHE., Bull. Soc. Chim. Fr., 1941, 8, 212-220. [all data]

Hales J.L., 1967
Hales J.L., Thermodynamic properties of organic oxygen compounds. Part 18. Vapor heat capacities and heats of vaporization of ethyl ketone, ethyl propyl ketone, methyl isopropyl ketone, and methyl phenyl ether, Trans. Faraday Soc., 1967, 63, 1876-1879. [all data]

Fenwick, Harrop, et al., 1975, 2
Fenwick, J.O.; Harrop, D.; Head, A.J., Thermodynamic properties of organic oxygen compounds. 41. Enthalpies of formation of eight ethers, J. Chem. Thermodynam., 1975, 7, 944-954. [all data]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W., Mesure des chaleurs specifique moleculaires de quelques liquides, Compt. rend., 1933, 197, 519-520. [all data]


Notes

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