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1,4-Benzenedicarbonyl dichloride

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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
Deltafsolid-338.9 ± 2.5kJ/molCcbKaryakin, Rabinovich, et al., 1978ALS
Deltafsolid-384.kJ/molCcbSapozhnikov, Mochalov, et al., 1973ALS
Quantity Value Units Method Reference Comment
Deltacsolid-3380.8 ± 2.5kJ/molCcbKaryakin, Rabinovich, et al., 1978ALS
Deltacsolid-3382. ± 3.kJ/molCcbSapozhnikov, Mochalov, et al., 1973ALS
Quantity Value Units Method Reference Comment
solid,1 bar226.1J/mol*KN/ASapozhnikov and Mochalov, 1973DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
207.9300.Sapozhnikov and Mochalov, 1973T = 20 to 300 K.; DH

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
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil539.2KN/AAldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
56.2463.AStephenson and Malanowski, 1987Based on data from 454. - 473. K. See also Dykyj, Svoboda, et al., 1999.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
21.1356.1Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
6.92337.3Domalski and Hearing, 1996CAL
59.25356.1

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.335337.3crystaline, IIcrystaline, IKaryakin and Shvetsova, 1982DH
21.100356.1crystaline, IliquidKaryakin and Shvetsova, 1982DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
6.90337.3crystaline, IIcrystaline, IKaryakin and Shvetsova, 1982DH
59.3356.1crystaline, IliquidKaryakin and Shvetsova, 1982DH

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR 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 DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 3246
Date Not specified, most likely prior to 1970
Name(s) terephthaloyl dichloride
State SOLUTION (2% CCl4 FOR 5000-1330, 2% CS2 FOR 1330-625 CM-1)
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 0.0114 CM, 0.0114 CM
SPECTRAL CONTAMINATION DUE TO CCl4 AROUND 1550 CM-1
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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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: 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).

Due to licensing restrictions, this spectrum cannot be downloaded.

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 Chemical Concepts
NIST MS number 158400

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.

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]

Sapozhnikov, Mochalov, et al., 1973
Sapozhnikov, V.N.; Mochalov, A.N.; Karyakin, N.V.; Kunyavskaya, S.G.; Chernova, V.I.; Rabinovich, I.B., Low-temperature heat capacity and thermodynamic properties of some acid dichlorides, Tr. Khim. Khim. Tekhnol., 1973, 55-57. [all data]

Sapozhnikov and Mochalov, 1973
Sapozhnikov, V.N.; Mochalov, A.N., Karyakin, N.V. Kunyavskaya, S.G., Chernova, V.I., and Rabinovich, I.B., Low-temperature heat capacity and thermodynamic properties of some acid dichlorides, 1973, Tr. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Karyakin and Shvetsova, 1982
Karyakin, N.V.; Shvetsova, K.G., Thermodynamics of reactions of 1,4-butanediol with terephthalic acid and its derivatives, Deposited Doc. SPSTL 861 Khp-D82, 1982, 14pp. [all data]


Notes

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