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Thiophene, 2-chloro-

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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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid49.978cal/mol*KN/AFujimori and Oguni, 1993 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
33.325298.15Fujimori and Oguni, 1993T = 5 to 300 K.

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
Tboil401.5KN/AWeast and Grasselli, 1989BS
Tboil401.65KN/AKhodeir, Skulski, et al., 1986Uncertainty assigned by TRC = 1.5 K; TRC
Tboil465.65KN/AKhodeir, Skulski, et al., 1986Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple201.KN/AFujimori and Oguni, 1993, 2Uncertainty assigned by TRC = 0.1 K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.29328.N/ADykyj, Svoboda, et al., 1999Based on data from 313. - 401. K.; AC
8.82335.N/ADykyj, Svoboda, et al., 1999Based on data from 320. - 401. K. See also Ditsent, Skorokhodov, et al., 1981.; AC
8.22348.A,IStephenson and Malanowski, 1987Based on data from 333. - 374. K. See also Eon, Pommier, et al., 1971 and Dykyj, Svoboda, et al., 1999.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
333.4 - 373.54.522251792.85-0.598Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.143201.30Fujimori and Oguni, 1993DH
2.14201.3Fujimori and Oguni, 1993, 3AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
10.65201.30Fujimori and Oguni, 1993DH

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:


Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)8.74 ± 0.04eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.78PEVeszpremi, Nyulaszi, et al., 1988LL
8.83CTSAloisi and Pignataro, 1973LLK
9.06 ± 0.05EILinda, Marino, et al., 1971LLK
8.70 ± 0.05PEBaker, Betteridge, et al., 1970RDSH
8.68 ± 0.01PIWatanabe, 1957RDSH
8.89 ± 0.05PEFringuelli, Marino, et al., 1976Vertical value; LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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, 1998.
NIST MS number 291937

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, Notes

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

Fujimori and Oguni, 1993
Fujimori, H.; Oguni, M., Thermodynamic study of 2-chlorothiophene: observation of two subsequent glass transitions in the stable crystalline state, J. Phys. Chem. Solids, 1993, 54(5), 607-612. [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]

Khodeir, Skulski, et al., 1986
Khodeir, N.M.; Skulski, L.; Wroczynski, P., Preparation of 2-Chlorofuran and 2-Chlorothiophene from the Respective Furan and Thiophene Mercurials and Disulfur Dichloride, Bull. Pol. Acad. Sci., Chem., 1986, 34, 443. [all data]

Fujimori and Oguni, 1993, 2
Fujimori, H.; Oguni, M., Construction of an adiabatic calorimeter at low-temp and glass transition of crystalline 2-bromothiophene, J. Phys. Chem. Solids, 1993, 54, 271. [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]

Ditsent, Skorokhodov, et al., 1981
Ditsent, V.E.; Skorokhodov, I.I.; Zolotareva, M.N.; Savuskina, V.I.; Tabenko, B.N., Zh. Prikl. Khim. (Leningrad), 1981, 54, 1617. [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]

Eon, Pommier, et al., 1971
Eon, C.; Pommier, C.; Guiochon, G., Vapor pressures and second virial coefficients of some five-membered heterocyclic derivatives, J. Chem. Eng. Data, 1971, 16, 4, 408-410, https://doi.org/10.1021/je60051a008 . [all data]

Fujimori and Oguni, 1993, 3
Fujimori, H.; Oguni, M., Construction of an adiabatic calorimeter at low temperatures and glass transition of crystalline 2-bromothiophene, J. Phys. Chem. Solids, 1993, 54(2), 271-280. [all data]

Veszpremi, Nyulaszi, et al., 1988
Veszpremi, T.; Nyulaszi, L.; Zsombok, G.Y., Systematic hel UPS study of chlorothiophenes, J. Electron Spectrosc. Relat. Phenom., 1988, 46, 269. [all data]

Aloisi and Pignataro, 1973
Aloisi, G.G.; Pignataro, S., Molecular complexes of substituted thiophens with «sigma» and «pi» acceptors, J. Chem. Soc. Faraday Trans. 1, 1973, 69, 534. [all data]

Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S., A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization, J. Chem. Soc. B, 1971, 1585. [all data]

Baker, Betteridge, et al., 1970
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. Photoelectron spectra of fivemembered heterocycles and related molecules, Anal. Chem., 1970, 42, 1064. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S., Photoelectron spectra of the «alpha»-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies, J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, References