Phenazine

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas338.3 ± 3.4kJ/molCcrSabbah and El Watik, 1991 
Δfgas328.8 ± 2.9kJ/molCcbLeitao, Pilcher, et al., 1990 
Δfgas343.6 ± 2.8kJ/molCcbArshadi, 1980 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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:
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
Δfsolid241.3 ± 3.4kJ/molCcrSabbah and El Watik, 1991ALS
Δfsolid237.0 ± 2.0kJ/molCcbLeitao, Pilcher, et al., 1990ALS
Δfsolid243.7 ± 2.3kJ/molCcbArshadi, 1980ALS
Quantity Value Units Method Reference Comment
Δcsolid-6106.7 ± 3.3kJ/molCcrSabbah and El Watik, 1991ALS
Δcsolid-6102.4 ± 1.2kJ/molCcbLeitao, Pilcher, et al., 1990ALS
Δcsolid-6109.1 ± 1.7kJ/molCcbArshadi, 1980ALS
Δcsolid-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, 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
Δsub95. ± 7.kJ/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

ΔvapH (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

ΔsubH (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. to 318. K.; AC
90. ± 2.281.2VMcEachern, Sandoval, et al., 1975, 2hfusion=5.00±0.17 kcal/mol; ALS
90.4 ± 1.7281. to 293.LEMcEachern, Sandoval, et al., 1975, 2AC

Enthalpy of fusion

ΔfusH (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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 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, 1989ΔGea(423 K) = -29.5 kcal/mol; ΔSea =-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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

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 π- 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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References