Phenoxathiin

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas30.07 ± 0.24kcal/molCcbSteele, Chirico, et al., 1993H2SO4(1:115)

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
Δfsolid7.47 ± 0.42kcal/molCcbSteele, Chirico, et al., 1993H2SO4(1:115); ALS
Quantity Value Units Method Reference Comment
Δcsolid-1553.22 ± 0.34kcal/molCcbSteele, Chirico, et al., 1993H2SO4(1:115); ALS
Quantity Value Units Method Reference Comment
solid,1 bar53.217cal/mol*KN/ASteele, Chirico, et al., 1993DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
51.092298.15Steele, Chirico, et al., 1993T = 5 to 700 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
7.85CTSHillebrand, Maior, et al., 1969RDSH
7.98 ± 0.03EINounou, 1966RDSH
7.6CTSKuboyama, 1964RDSH
7.72 ± 0.05PEColonna, Distefano, et al., 1978Vertical value; LLK

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes

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

Steele, Chirico, et al., 1993
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., The thermodynamic properties of thianthrene and phenoxathiin, J. Chem. Thermodyn., 1993, 25, 965-992. [all data]

Hillebrand, Maior, et al., 1969
Hillebrand, M.; Maior, O.; Sahini, V.E.; Volanschi, E., Spectral study of some phenoxathiin derivatives and their positive ions, J. Chem. Soc. B, 1969, 755. [all data]

Nounou, 1966
Nounou, P., Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle, J. Chim. Phys., 1966, 63, 994. [all data]

Kuboyama, 1964
Kuboyama, A., Molecular complexes and their spectra. XVII.The iodine and the chloranil complexes with thianthrene analogs, J. Am. Chem. Soc., 1964, 86, 164. [all data]

Colonna, Distefano, et al., 1978
Colonna, F.P.; Distefano, G.; Galasso, V.; Irgolic, K.J.; King, C.E.; Pappalardo, G.C., The conformation, uv-absorption spectra and photoelectron spectra of phenoxachalcogenins, J. Organometal. Chem., 1978, 146, 235. [all data]


Notes

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