Benzene, 1,2-dichloro-4-nitro-
- Formula: C6H3Cl2NO2
- Molecular weight: 192.000
- IUPAC Standard InChIKey: NTBYINQTYWZXLH-UHFFFAOYSA-N
- CAS Registry Number: 99-54-7
- 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: 1-Nitro-3,4-dichlorobenzene; 1,2-Dichloro-4-nitrobenzene; 3,4-Dichloronitrobenzene; DCNB
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Condensed phase thermochemistry data
Go To: Top, 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -109.7 | kJ/mol | Ccb | Masalitinova, Oleinikova, et al., 1981 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2727.4 ± 3.4 | kJ/mol | Ccb | Masalitinova, Oleinikova, et al., 1981 |
Phase change 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 compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 528.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 65.2 ± 0.2 | kJ/mol | GS | Verevkin and Schick, 2003 | Based on data from 316. to 346. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 85.8 ± 2.5 | kJ/mol | C | Ribeiro da Silva, Lobo Ferreira, et al., 2009 | AC |
ΔsubH° | 83.1 ± 0.6 | kJ/mol | GS | Verevkin and Schick, 2003 | Based on data from 283. to 311. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
55.5 | 432. | A | Stephenson and Malanowski, 1987 | Based on data from 417. to 515. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.95 | 314.1 | DSC | Verevkin and Schick, 2003 | AC |
17.6 | 316. | N/A | Masalitinova, Oleinikova, et al., 1981, 2 | AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Masalitinova, Oleinikova, et al., 1981
Masalitinova, T.N.; Oleinikova, T.P.; Ryadnenko, V.L.; Kiseleva, N.N.; Lebedeva, N.D.,
Thermal effects of the hydrogenation of chloronitrobenzenes,
J. Appl. Chem. USSR, 1981, 54, 1551-1554, In original 1799. [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]
Verevkin and Schick, 2003
Verevkin, Sergey P.; Schick, Christoph,
Determination of vapor pressures, enthalpies of sublimation, enthalpies of vaporization, and enthalpies of fusion of a series of chloro-aminobenzenes and chloro-nitrobenzenes,
Fluid Phase Equilibria, 2003, 211, 2, 161-177, https://doi.org/10.1016/S0378-3812(03)00181-X
. [all data]
Ribeiro da Silva, Lobo Ferreira, et al., 2009
Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.; Moreno, Ana Rita G.,
Experimental and computational thermochemical study of the dichloronitrobenzene isomers,
The Journal of Chemical Thermodynamics, 2009, 41, 8, 904-910, https://doi.org/10.1016/j.jct.2009.03.001
. [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]
Masalitinova, Oleinikova, et al., 1981, 2
Masalitinova, T.N.; Oleinikova, T.P.; Ryadnenko, V.L.; Kiseleva, N.N.; Lebedeva, N.D.,
Zh. Prikl. Khim. (Leningrad), 1981, 54, 1799. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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