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4,4'-Dichlorobenzophenone

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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, 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
Tboil626.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus420.0KN/APlato, 1972Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltasub117.5 ± 0.3kJ/molMERibeiro da Silva, Amaral, et al., 2007Based on data from 349. - 367. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
114.5 ± 0.3358.MERibeiro da Silva, Amaral, et al., 2007Based on data from 349. - 367. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
30.12420.DSCAcree, 1991See also Plato, 1972, 2.; AC
21.65338.4DSCDonnelly, Drewes, et al., 1990the entry for Ref. Donnelly, Drewes, et al., 1990 may likely be in error. The authors give the name of the compound as 4,4′-dichlorobenzophenone in the paper; however, they give the CAS Registry number of [85-29-0] which corresponds to 2,4′-dichlorobenzophenone. The observed melting point temperature of 338.4 K is more in line with the melting point temperature of 2,4′-dichlorobenzophenone; AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.146186.1crystaline, IIIcrystaline, IIEcolivet, Bertault, et al., 1987DH
0.251189.5crystaline, IIcrystaline, IEcolivet, Bertault, et al., 1987DH

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

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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

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)

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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

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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 NIST Mass Spectrometry Data Center
NIST MS number 341065

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.


UV/Visible 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Grummitt, Marsh, et al., 1952
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 642
Instrument Beckman DU
Melting point 147.5
Boiling point 353

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-1190.1947.Erdmann, Rochholz, et al., 1992 
CapillaryOV-1220.1979.Erdmann, Rochholz, et al., 1992 

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane2014.Department of Food Safety and Welfare, 200630. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min)
Capillary5 % Phenyl methyl siloxane2018.Department of Food Safety and Welfare, 200630. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min)

References

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Plato, 1972
Plato, C., DSC as a general method for determining purity and heat of fusion of high-purity organic chemicals, Anal. Chem., 1972, 44, 1531. [all data]

Ribeiro da Silva, Amaral, et al., 2007
Ribeiro da Silva, Manuel A.V.; Amaral, Luísa M.P.F.; Gomes, José R.B., Experimental and Computational Studies on the Molecular Energetics of Chlorobenzophenones, J. Phys. Chem. B, 2007, 111, 45, 13033-13040, https://doi.org/10.1021/jp076522j . [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]

Plato, 1972, 2
Plato, Candace., Differential scanning calorimetry as a general method for determining purity and heat of fusion of high-purity organic chemicals. Application to 64 compounds, Anal. Chem., 1972, 44, 8, 1531-1534, https://doi.org/10.1021/ac60316a049 . [all data]

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Ecolivet, Bertault, et al., 1987
Ecolivet, C.; Bertault, M.; Mierzejewski, A.; Collet, A., Brillouin scattering and calorimetric studies of structural phase transitions in anthracene-TCNB and p-dichlorobenzophenone, Stud. Phys. Theor. Chem., 1987, 46, 187-192. [all data]

Grummitt, Marsh, et al., 1952
Grummitt, O.; Marsh, D.; Stearns, J.A., Analysis and properties of bis-(p-chlorophenyl)-methylcarbinol, Anal. Chem., 1952, 24, 4, 702-708. [all data]

Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H., Retention-indices on OV-1 of approximately 170 commonly used pesticides, Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093 . [all data]

Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare, Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]


Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References