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, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
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, Phase change data, IR Spectrum, Gas Chromatography, 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 |
Gas Chromatography
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1703. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-1 | 1670. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-1 | 1666. | Tameo and Kiyos, 1991 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1703. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1703. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 2557. | Tameo and Kiyos, 1991 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-52 | 294.37 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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]
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]
Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses,
J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Tameo and Kiyos, 1991
Tameo, O.; Kiyos, I.,
Simultaneous determination of pesticides by capillary gas chromatography,
Cannot be traslated (in Japan), 1991, 14, 2, 109-122. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L.,
Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices,
J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas 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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