Benzene, 1,2,4,5-tetrachloro-3,6-dimethyl-
- Formula: C8H6Cl4
- Molecular weight: 243.945
- IUPAC Standard InChIKey: CTSQZGJZQUVGBQ-UHFFFAOYSA-N
- CAS Registry Number: 877-10-1
- 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: 1,2,4,5-Tetrachloro-3,6-dimethylbenzene; P-xylene, 2,3,5,6-tetrachloro; 2,3,5,6-tetrachloro-p-xylene
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Condensed phase thermochemistry data
Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -41.64 | kcal/mol | Ccr | Hu and Sinke, 1969 | |
ΔfH°solid | -42.06 | kcal/mol | Ccr | Smith, Scott, et al., 1964 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -938.38 | kcal/mol | Ccr | Hu and Sinke, 1969 | |
ΔcH°solid | -937.84 ± 0.14 | kcal/mol | Ccr | Smith, Scott, et al., 1964 | Reanalyzed by Cox and Pilcher, 1970, Original value = -937.4 ± 0.14 kcal/mol |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 521. | K | N/A | Smith, Scott, et al., 1964, 2 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 370. | K | N/A | Colson, 1887 | Uncertainty assigned by TRC = 1. K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.399 | 368.2 | Acree, 1991 | AC |
IR Spectrum
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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | TENNESSEE EASTMAN COMPANY, RESEARCH LABORATORIES |
Source reference | COBLENTZ NO. 2380 |
Date | Not specified, most likely prior to 1970 |
Name(s) | 1,2,4,5-tetrachloro-3,6-dimethylbenzene |
State | SOLID (KBr PELLET) |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY |
Melting point | 223 C |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hu and Sinke, 1969
Hu, A.T.; Sinke, G.C.,
Combustion calorimetry of some chlorinated organic compounds,
J. Chem. Thermodyn., 1969, 1, 507-513. [all data]
Smith, Scott, et al., 1964
Smith, N.K.; Scott, D.W.; McCullough, J.P.,
Combustion calorimetry of organic chlorine compounds. The heat of combustion of 2,3,5,6-tetrachloro-p-xylene,
J. Phys. Chem., 1964, 68, 934-939. [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]
Smith, Scott, et al., 1964, 2
Smith, N.K.; Scott, D.W.; McCullough, J.P.,
J. Phys. Chem., 1964, 68, 934. [all data]
Colson, 1887
Colson, XX,
C. R. Hebd. Seances Acad. Sci., 1887, 104, 428. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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