Benzenamine, 3,4-dichloro-
- Formula: C6H5Cl2N
- Molecular weight: 162.017
- IUPAC Standard InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N
- CAS Registry Number: 95-76-1
- 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: Aniline, 3,4-dichloro-; DCA; 3,4-Dichloroaniline; 3,4-Dichlorobenzenamine; 3,4-DCA; 4,5-Dichloroaniline; 1-Amino-3,4-dichlorobenzene; 3,4-Dichloranilin; 3,4-Dichloraniline; 3,4-Dichlorophenylamine; 4-Amino-1,2-dichlorobenzene; LY 004892; NSC 247
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -21.30 | kcal/mol | Ccb | Masalitinova, Oleinikova, et al., 1981 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -725.09 ± 0.52 | kcal/mol | Ccb | Masalitinova, Oleinikova, et al., 1981 |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 545.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 618.1 | K | N/A | Zhuravlev, Sivkova, et al., 1988 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 345.14 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 345.3 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.1 K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
418.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.0 | 435. | A | Stephenson and Malanowski, 1987 | Based on data from 420. to 545. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.184 | 344.5 | Verevkin and Schick, 2003 | AC |
Reaction thermochemistry data
Go To: Top, 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C13H8Cl4N2O = C7H3Cl2NO + C6H5Cl2N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.4 ± 1.3 | kcal/mol | Eqk | Chimishkyan, Svetlova, et al., 1984 | solid phase; Dissociation |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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]
Zhuravlev, Sivkova, et al., 1988
Zhuravlev, E.Z.; Sivkova, V.N.; Mulyanov, P.V.; Bogdanova, T.M.,
Density, viscosity, dielectric constant and vapor pressure of 3,4- dichloroaniline,
Deposited Doc. ONIITEkhim Cherkassy, 1988, Doc. No. 592 khp - 88, 1988. [all data]
Witschonke, 1954
Witschonke, C.R.,
Freezing point and purity data for some organic compounds,
Anal. Chem., 1954, 26, 562-4. [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]
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]
Chimishkyan, Svetlova, et al., 1984
Chimishkyan, A.L.; Svetlova, L.P.; Leonova, T.V.; Gluyaev, N.D.,
Thermal decomposition of substituted ureas,
J. Gen. Chem. USSR, 1984, 54, 1317-1320. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) 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 ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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