Phenol, 2,4,6-trimethyl-

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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 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
Δfsolid  CcbKhodzhaeva, Iskhakova, et al., 1991uncertain value: -85.287 kcal/mol; Undetermined error; ALS
Δfsolid-65.kcal/molCcbBertholon, Giray, et al., 1971ALS
Quantity Value Units Method Reference Comment
Δcsolid  CcbKhodzhaeva, Iskhakova, et al., 1991uncertain value: -117. ± 15. kcal/mol; Undetermined error; ALS
Δcsolid-1191.kcal/molCcbBertholon, Giray, et al., 1971Corresponding Δfsolid = -65. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar51.417cal/mol*KN/AKhodzhaeva, Iskhakova, et al., 1991DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
50.937298.15Khodzhaeva, Iskhakova, et al., 1991T = 90 to 320 K. Cp(c) = -460.08(T/100)-2 + 1250.90(T/100)-1 - 1258.35 + 682.09(T/100) - 138.79(T/100)2 + 11.79(T/100)3 J/mol*K.; DH

Gas phase ion energetics 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C9H12O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.00PECetinkaya, Lappert, et al., 1983Vertical value

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Khodzhaeva, Iskhakova, et al., 1991
Khodzhaeva, M.G.; Iskhakova, B.G.; Abdusalyamov, N.N.; Ismailov, T.S., Heat capacity and thermodynamics of 2,4,6-trimethylphenol, Uzb. Khim. Zh., 1991, 27-29. [all data]

Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F., No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols, Bull. Soc. Chim. France, 1971, 3180-3187. [all data]

Cetinkaya, Lappert, et al., 1983
Cetinkaya, B.; Lappert, M.F.; Suffolk, R.J., Photoelectron spectra of some sterically hindered phenols and related compounds, J. Chem. Res. Synop., 1983, 316. [all data]


Notes

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