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Phenazine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas338.3 ± 3.4kJ/molCcrSabbah and El Watik, 1991 
Deltafgas328.8 ± 2.9kJ/molCcbLeitao, Pilcher, et al., 1990 
Deltafgas343.6 ± 2.8kJ/molCcbArshadi, 1980 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 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
Deltafsolid241.3 ± 3.4kJ/molCcrSabbah and El Watik, 1991ALS
Deltafsolid237.0 ± 2.0kJ/molCcbLeitao, Pilcher, et al., 1990ALS
Deltafsolid243.7 ± 2.3kJ/molCcbArshadi, 1980ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6106.7 ± 3.3kJ/molCcrSabbah and El Watik, 1991ALS
Deltacsolid-6102.4 ± 1.2kJ/molCcbLeitao, Pilcher, et al., 1990ALS
Deltacsolid-6109.1 ± 1.7kJ/molCcbArshadi, 1980ALS
Deltacsolid-6112.8 ± 6.3kJ/molCcbWillis, 1947Reanalyzed 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
234.3298.15Sabbah and El Watik, 1991DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 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
Tfus444.KN/AMcEachern, Sandoval, et al., 1975Uncertainty assigned by TRC = 2. K; TRC
Tfus451.KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Deltasub95. ± 7.kJ/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
66.1 ± 0.1450.Chirico, Kazakov, et al., 2010AC
65.5 ± 0.1460.Chirico, Kazakov, et al., 2010AC
65.0 ± 0.1470.Chirico, Kazakov, et al., 2010AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
96.970298.15N/ASabbah and El Watik, 1992DH
94.3 ± 0.4354.N/AChirico, Kazakov, et al., 2010AC
92.7 ± 0.4354.N/ASabbah and El Watik, 1991AC
92.4295.N/AStephenson and Malanowski, 1987Based on data from 280. - 318. K.; AC
90. ± 2.281.2VMcEachern, Sandoval, et al., 1975, 2hfusion=5.00±0.17 kcal/mol; ALS
90.4 ± 1.7281. - 293.LEMcEachern, Sandoval, et al., 1975, 2AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
18.880447.89N/ASabbah and El Watik, 1992DH
18.880447.89N/ASabbah and El Watik, 1991DH
24.92447.9ACChirico, Kazakov, et al., 2010AC
20.92450.2DSCMcEachern, Sandoval, et al., 1975, 2AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Quantity Value Units Method Reference Comment
Proton affinity (review)938.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity908.3kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.31 ± 0.10IMREDillow and Kebarle, 1989«DELTA»Gea(423 K) = -29.5 kcal/mol; «DELTA»Sea =-1.5, taken as that of anthracene, from Kebarle and Chowdhury, 1987. 9,10-diazaanthracene; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.33PEHush, Cheung, et al., 1975LLK
8.44 ± 0.02PEMaier, Muller, et al., 1975Vertical value; LLK
8.33 ± 0.02PEHush, Cheung, et al., 1975Vertical value; LLK

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible 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

Gas Phase Spectrum

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IR 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

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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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Mass spectrum
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Additional Data

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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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis 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. 3183
Instrument n.i.g.
Melting point 176.5

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Dillow and Kebarle, 1989
Dillow, G.W.; Kebarle, P., Electron Affinities of aza-substituted polycyclic aromatic hydrocarbons, Can. J. Chem., 1989, 67, 10, 1628, https://doi.org/10.1139/v89-249 . [all data]

Kebarle and Chowdhury, 1987
Kebarle, P.; Chowdhury, S., Electron affinities and electron transfer reactions, Chem. Rev., 1987, 87, 513. [all data]

Hush, Cheung, et al., 1975
Hush, N.S.; Cheung, A.S.; Hilton, P.R., Binding energies of «pi»- and "lone pair"-levels in mono- and diaza-phenanthrenes and anthracenes: an He(I) photoelectron spectroscopic study, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 385. [all data]

Maier, Muller, et al., 1975
Maier, J.P.; Muller, J.-F.; Kubota, T.; Yamakawa, M., 183. Ionisation energies and the electronic structures of the N-oxides of azanaphthalenes and azaanthracenes, Helv. Chim. Acta, 1975, 58, 1641. [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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References