Phenazine
- Formula: C12H8N2
- Molecular weight: 180.2053
- IUPAC Standard InChIKey: PCNDJXKNXGMECE-UHFFFAOYSA-N
- CAS Registry Number: 92-82-0
- 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: Azophenylene; Dibenzo-p-diazine; Dibenzopyrazine; 9,10-Diazaanthracene; Dibenzoparadiazine
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
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 | 338.3 ± 3.4 | kJ/mol | Ccr | Sabbah and El Watik, 1991 | |
ΔfH°gas | 328.8 ± 2.9 | kJ/mol | Ccb | Leitao, Pilcher, et al., 1990 | |
ΔfH°gas | 343.6 ± 2.8 | kJ/mol | Ccb | Arshadi, 1980 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|---|
ΔfH°solid | 241.3 ± 3.4 | kJ/mol | Ccr | Sabbah and El Watik, 1991 | ALS |
ΔfH°solid | 237.0 ± 2.0 | kJ/mol | Ccb | Leitao, Pilcher, et al., 1990 | ALS |
ΔfH°solid | 243.7 ± 2.3 | kJ/mol | Ccb | Arshadi, 1980 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -6106.7 ± 3.3 | kJ/mol | Ccr | Sabbah and El Watik, 1991 | ALS |
ΔcH°solid | -6102.4 ± 1.2 | kJ/mol | Ccb | Leitao, Pilcher, et al., 1990 | ALS |
ΔcH°solid | -6109.1 ± 1.7 | kJ/mol | Ccb | Arshadi, 1980 | ALS |
ΔcH°solid | -6112.8 ± 6.3 | kJ/mol | Ccb | Willis, 1947 | Reanalyzed by Cox and Pilcher, 1970, Original value = -6112.4 ± 5.9 kJ/mol; ALS |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
234.3 | 298.15 | Sabbah and El Watik, 1991 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 444. | K | N/A | McEachern, Sandoval, et al., 1975 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 451. | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 95. ± 7. | kJ/mol | AVG | N/A | Average of 11 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
66.1 ± 0.1 | 450. | Chirico, Kazakov, et al., 2010 | AC |
65.5 ± 0.1 | 460. | Chirico, Kazakov, et al., 2010 | AC |
65.0 ± 0.1 | 470. | Chirico, Kazakov, et al., 2010 | AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
96.970 | 298.15 | N/A | Sabbah and El Watik, 1992 | DH |
94.3 ± 0.4 | 354. | N/A | Chirico, Kazakov, et al., 2010 | AC |
92.7 ± 0.4 | 354. | N/A | Sabbah and El Watik, 1991 | AC |
92.4 | 295. | N/A | Stephenson and Malanowski, 1987 | Based on data from 280. to 318. K.; AC |
90. ± 2. | 281.2 | V | McEachern, Sandoval, et al., 1975, 2 | hfusion=5.00±0.17 kcal/mol; ALS |
90.4 ± 1.7 | 281. to 293. | LE | McEachern, Sandoval, et al., 1975, 2 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.880 | 447.89 | N/A | Sabbah and El Watik, 1992 | DH |
18.880 | 447.89 | N/A | Sabbah and El Watik, 1991 | DH |
24.92 | 447.9 | AC | Chirico, Kazakov, et al., 2010 | AC |
20.92 | 450.2 | DSC | McEachern, Sandoval, et al., 1975, 2 | AC |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes
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)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References, Notes
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
View image of digitized spectrum (can be printed in landscape orientation).
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- 113 |
NIST MS number | 228361 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah and El Watik, 1991
Sabbah, R.; El Watik, L.,
Etude thermodynamique de la molecule de phenazine,
Thermochim. Acta, 1991, 176, 163-171. [all data]
Leitao, Pilcher, et al., 1990
Leitao, M.L.; Pilcher, G.; Acree, W.E., Jr.; Zvaigzne, A.I.; Tucker, S.A.; Ribeiro Da Silva, M.D.M.C.,
Enthalpies of combustion of phenazine N-oxide, phenazine, benzofuroxan, and benzofurazan: the dissociation entrhalpies of the (N-O) bonds,
J. Chem. Thermodyn., 1990, 22, 923-928. [all data]
Arshadi, 1980
Arshadi, M.R.,
Enthalpies of combustion and formation of phenazine and 2,1,3-benzoxadiazole,
J. Chem. Thermodyn., 1980, 12, 903-906. [all data]
Willis, 1947
Willis, J.B.,
The heats of combustion of some organic bases and their salts. The resonance energies of acridine and phenazine,
Trans. Faraday Soc., 1947, 43, 97-102. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
McEachern, Sandoval, et al., 1975
McEachern, D.M.; Sandoval, O.; Iniguez, J.C.,
Vapor pressures, derived enthalpies of sublimation, enthalpies of fusion, and resonance energies of acridine and phenazine,
J. Chem. Thermodyn., 1975, 7, 299. [all data]
Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W.,
Study of Organic Scintillators,
J. Chem. Phys., 1956, 24, 670. [all data]
Chirico, Kazakov, et al., 2010
Chirico, Robert D.; Kazakov, Andrei F.; Steele, William V.,
Thermodynamic properties of three-ring aza-aromatics. 1. Experimental results for phenazine and acridine, and mutual validation of experiments and computational methods,
The Journal of Chemical Thermodynamics, 2010, 42, 5, 571-580, https://doi.org/10.1016/j.jct.2009.11.010
. [all data]
Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L.,
Thermodynamic study of anthrone, counmarin and phenazine,
J. Therm. Anal., 1992, 38, 803-809. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
McEachern, Sandoval, et al., 1975, 2
McEachern, D.M.; Sandoval, O.; Iniguez, J.C.,
Vapor pressures, derived enthalpies of sublimation, enthalpies of fusion, and resonance energies of acridine and phenazine,
J. Chem. Thermodyn., 1975, 7, 299-306. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid 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 ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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