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1,2-Benzenediamine

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Condensed phase thermochemistry data

Go To: Top, 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
Deltafsolid9.3 ± 1.4kcal/molCcbContineanu, Wagner, et al., 1982ALS
Deltafsolid0.0kcal/molCcbKunyavskaya, Karyakin, et al., 1973see Karyakin, Rabinovich, et al., 1978; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-846.9 ± 1.4kcal/molCcbContineanu, Wagner, et al., 1982ALS
Deltacsolid-837.5 ± 0.6kcal/molCcbKunyavskaya, Karyakin, et al., 1973see Karyakin, Rabinovich, et al., 1978; ALS
Quantity Value Units Method Reference Comment
solid,1 bar36.350cal/mol*KN/AKunyavskaya, Karyakin, et al., 1973DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
36.047298.15Bret-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
38.750300.Kunyavskaya, Karyakin, et al., 1973T = 20 to 300 K.; DH

Phase change data

Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil530.2KN/AWeast and Grasselli, 1989BS
Tboil460.2KN/ARichards and Mathews, 1908Uncertainty assigned by TRC = 1. K; TRC
Tboil530.15KN/APerkin, 1896Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus373.9KN/ABret-Dibat and Lichanot, 1989, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC
Tfus377.KN/AKemula, Buchowski, et al., 1968Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltasub20.4 ± 0.07kcal/molCSabbah and Perez, 1997AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
5.5210373.85Bret-Dibat and Lichanot, 1989DH
5.52373.9Lee, Chang, et al., 1997See also Bret-Dibat and Lichanot, 1989.; AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
15.373.85Bret-Dibat and Lichanot, 1989DH

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:


IR Spectrum

Go To: Top, 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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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 Sadtler Research Labs Under US-EPA Contract
State gas

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


Mass spectrum (electron ionization)

Go To: Top, 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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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-1719
NIST MS number 229464

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.


References

Go To: Top, 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.

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]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Richards and Mathews, 1908
Richards, T.W.; Mathews, J.H., The Relation Between Compressibility, Surface Tension, and Other Properties of Material, J. Am. Chem. Soc., 1908, 30, 8-13. [all data]

Perkin, 1896
Perkin, W.H., LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds, J. Chem. Soc., 1896, 69, 1025-1257. [all data]

Bret-Dibat and Lichanot, 1989, 2
Bret-Dibat, P.; Lichanot, A., Proprietes thermodynamiques des isomeres de position de benzenes disubstitues en phase condensee, Thermochim. Acta, 1989, 147, 2, 261, https://doi.org/10.1016/0040-6031(89)85181-0 . [all data]

Kemula, Buchowski, et al., 1968
Kemula, W.; Buchowski, H.; Pawlowski, W., Effect of the position of substituents in an aromatic ring on R(f) and partition coefficients: II. aromatic amines, Rocz. Chem., 1968, 42, 1951. [all data]

Sabbah and Perez, 1997
Sabbah, Raphaël; Perez, Laurence, Energétique des liaisons inter- et intramoléculaires dans les trois isomères du benzènediamine, Can. J. Chem., 1997, 75, 4, 357-364, https://doi.org/10.1139/v97-041 . [all data]

Lee, Chang, et al., 1997
Lee, Ming-Jer; Chang, Yao-Kun; Lin, Ho-mu; Chen, Chang-Hsin, Solid-Liquid Equilibria for 4-Methoxyphenol with Catechol, Ethylenediamine, or Piperazine, J. Chem. Eng. Data, 1997, 42, 2, 349-352, https://doi.org/10.1021/je960201b . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References