Phenoxathiin
- Formula: C12H8OS
- Molecular weight: 200.256
- IUPAC Standard InChIKey: GJSGGHOYGKMUPT-UHFFFAOYSA-N
- CAS Registry Number: 262-20-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Dibenzothioxin; Phenothioxin; Phenoxathiane; Phenoxathine; Phenoxthin; 1,4-Dibenzothioxine; Phenoxathrin; USAF DO-17; Dibenzooxathiane; NSC 464; RJC 03297
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Phase change data
Go To: Top, Gas phase ion energetics 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 328.770 | K | N/A | Steele, Chirico, et al., 1993 | Uncertainty assigned by TRC = 0.002 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 77.3 ± 0.1 | kJ/mol | ME | Monte, Santos, et al., 2008 | Based on data from 318. to 373. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
68.7 | 400. | EB,IP | Steele, Chirico, et al., 1993, 2 | Based on data from 365. to 640. K.; AC |
66. | 440. | EB,IP | Steele, Chirico, et al., 1993, 2 | Based on data from 365. to 640. K.; AC |
63.4 | 480. | EB,IP | Steele, Chirico, et al., 1993, 2 | Based on data from 365. to 640. K.; AC |
60.8 | 520. | EB,IP | Steele, Chirico, et al., 1993, 2 | Based on data from 365. to 640. K.; AC |
58. | 560. | EB,IP | Steele, Chirico, et al., 1993, 2 | Based on data from 365. to 640. K.; AC |
55.1 | 600. | EB,IP | Steele, Chirico, et al., 1993, 2 | Based on data from 365. to 640. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.2666 | 328.778 | N/A | Steele, Chirico, et al., 1993, 2 | DH |
19.43 | 329.6 | DSC | Monte, Santos, et al., 2008 | AC |
20.27 | 328.8 | N/A | Steele, Chirico, et al., 1993, 2 | AC |
Gas phase ion energetics data
Go To: Top, Phase change 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:
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 |
---|---|---|---|
7.85 | CTS | Hillebrand, Maior, et al., 1969 | RDSH |
7.98 ± 0.03 | EI | Nounou, 1966 | RDSH |
7.6 | CTS | Kuboyama, 1964 | RDSH |
7.72 ± 0.05 | PE | Colonna, Distefano, et al., 1978 | Vertical value; LLK |
References
Go To: Top, Phase change 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, 965-92. [all data]
Monte, Santos, et al., 2008
Monte, Manuel J.S.; Santos, Luis M.N.B.F.; Sousa, Carlos A.D.; Fulem, Michal,
Vapor Pressures of Solid and Liquid Xanthene and Phenoxathiin from Effusion and Static Studies,
J. Chem. Eng. Data, 2008, 53, 8, 1922-1926, https://doi.org/10.1021/je800333q
. [all data]
Steele, Chirico, et al., 1993, 2
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
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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