Phenoxazine
- Formula: C12H9NO
- Molecular weight: 183.2060
- IUPAC Standard InChI: InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
- IUPAC Standard InChIKey: TZMSYXZUNZXBOL-UHFFFAOYSA-N
- CAS Registry Number: 135-67-1
- 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: 10H-Phenoxazine; Phenazoxine; NSC 72990; 2,3:5,6-Dibenzo-1,4-oxazine
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 22.46 ± 0.67 | kcal/mol | Ccr | Sabbah and El Watik, 1992 | %hf calculated possible error by author |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -0.50 ± 0.67 | kcal/mol | Ccr | Sabbah and El Watik, 1992 | %hf calculated possible error by author |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1435.5 ± 0.65 | kcal/mol | Ccr | Sabbah and El Watik, 1992 | %hf calculated possible error by author |
Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 429.85 | K | N/A | Cullinane and Rees, 1940 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 22.96 ± 0.074 | kcal/mol | C | Sabbah and El Watik, 1992 | %hf calculated possible error by author; ALS |
| ΔsubH° | 23.0 ± 0.07 | kcal/mol | C | Sabbah and El Watik, 1992 | AC |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| State | gas |
| Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-6870 |
| NIST MS number | 235508 |
UV/Visible spectrum
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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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| Source | VanAllan, Reynolds, et al., 1962 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 317 |
| Instrument | n.i.g. |
| Melting point | 156 |
| Boiling point | dec |
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.
Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L.,
Etude thermodynamique de la phenoxazine et de la phenotiazine,
Thermochim. Acta, 1992, 197, 381-390. [all data]
Cullinane and Rees, 1940
Cullinane, N.M.; Rees, W.T.,
Isomorphous relationships of some organic compounds of analogous constitution,
Trans. Faraday Soc., 1940, 36, 507. [all data]
VanAllan, Reynolds, et al., 1962
VanAllan, J.A.; Reynolds, G.A.; Adel, R.E.,
Polynuclear heterocycles. I. 1H-benzo[b]pyrido[1,2,3-mn]phenoxazin-1-one and related substances,
J. Org. Chem., 1962, 27, 1659-1664. [all data]
Notes
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- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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