1,2-Benzenediamine

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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 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
Δfsolid39.1 ± 5.7kJ/molCcbContineanu, Wagner, et al., 1982ALS
Δfsolid0.0kJ/molCcbKunyavskaya, Karyakin, et al., 1973see Karyakin, Rabinovich, et al., 1978; ALS
Quantity Value Units Method Reference Comment
Δcsolid-3543.5 ± 5.7kJ/molCcbContineanu, Wagner, et al., 1982ALS
Δcsolid-3504. ± 3.kJ/molCcbKunyavskaya, Karyakin, et al., 1973see Karyakin, Rabinovich, et al., 1978; ALS
Quantity Value Units Method Reference Comment
solid,1 bar152.09J/mol*KN/AKunyavskaya, Karyakin, et al., 1973DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
150.82298.15Bret-Dibat and Lichanot, 1989T = 200 to 500 K. Cp(c) = 135.620 + 0.5717t + 1.1893x10-3t2 + 1.0768x10-5t3 J/mol*K (t/°C). Cp value calculated from equation.; DH
162.13300.Kunyavskaya, Karyakin, et al., 1973T = 20 to 300 K.; DH

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C6H8N2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)896.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity865.8kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.2PETsuji, Saito, et al., 1973LLK
7.4 ± 0.1CTSFarrell and Newton, 1966RDSH
7.36CTSKinoshita, 1962RDSH
8.00EICrable and Kearns, 1962RDSH
7.45CTSBriegleb and Czekalla, 1959RDSH
7.78PEPalmer, Moyes, et al., 1979Vertical value; LLK
7.69PEStreets, Hall, et al., 1972Vertical value; LLK

References

Go To: Top, Condensed phase thermochemistry 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.

Contineanu, Wagner, et al., 1982
Contineanu, I.; Wagner, L.; Stanescu, L.; Marchidan, D.I., Combustion and formation enthalpies of o-phenylenediamine, urea and 2-benzimidazolone, Rev. Roum. Chim., 1982, 27, 205-209. [all data]

Kunyavskaya, Karyakin, et al., 1973
Kunyavskaya, S.G.; Karyakin, N.V.; Krylova, G.P.; Chernova, V.I.; Rabinovich, I.B., Heat capacity and thermodynamic properties of iosmeric phenylenediamines, Tr. Khim. Khim. Tekhnol., 1973, 58-59. [all data]

Karyakin, Rabinovich, et al., 1978
Karyakin, N.V.; Rabinovich, I.B.; Sokolov, L.B., Thermodynamics of the synthesis of isomeric poly(phenylenephthalamides), Vysokomol. Soedin. Ser. B, 1978, 20, 662-666. [all data]

Bret-Dibat and Lichanot, 1989
Bret-Dibat, P.; Lichanot, A., Thermodynamic properties of positional isomers of disubstituted benzene in condensed phase, Thermochim. Acta, 1989, 147(2), 261-271. [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]

Tsuji, Saito, et al., 1973
Tsuji, K.; Saito, M.; Tani, T., Ionization potentials of phenylenediamines and steric effect in the ortho isomer, Denki Kagaku oyobi Kogyo Butsuri Kagaku, 1973, 41, 688. [all data]

Farrell and Newton, 1966
Farrell, P.G.; Newton, J., Ionization potentials of primary aromatic amines and aza-hydrocarbons, Tetrahedron Lett., 1966, 5517. [all data]

Kinoshita, 1962
Kinoshita, M., The absorption spectra of the molecular complexes of aromatic compounds with p-bromanil, Bull. Chem. Soc. Japan, 1962, 35, 1609. [all data]

Crable and Kearns, 1962
Crable, G.F.; Kearns, G.L., Effect of substituent groups on the ionization potentials of benzenes, J. Phys. Chem., 1962, 66, 436. [all data]

Briegleb and Czekalla, 1959
Briegleb, G.; Czekalla, J., Die Bestimmung von lonisierungsenergien aus den Spektren von Elektronenubergangskomplexen, Z.Elektrochem., 1959, 63, 6. [all data]

Palmer, Moyes, et al., 1979
Palmer, M.H.; Moyes, W.; Spiers, M.; Ridyard, J.N.A., The electronic structure of substituted benzenes; a study of aniline, the toluidines, phenylenediamines and fluoroanilines by photoelectron spectroscopy and ab initio calculations, J. Mol. Struct., 1979, 53, 235. [all data]

Streets, Hall, et al., 1972
Streets, D.G.; Hall, W.E.; Ceasar, G.P., Mesomeric mixing in the π energy levels of aminobenzenes studied by photoelectron spectroscopy, Chem. Phys. Lett., 1972, 17, 90. [all data]


Notes

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