Thiophene, 2,5-dichloro-

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Phase change data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil435.2KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.9338.N/ADykyj, Svoboda, et al., 1999Based on data from 323. to 425. K.; AC
8.65338.N/ADykyj, Svoboda, et al., 1999Based on data from 323. to 425. K.; AC
8.05348.A,IStephenson and Malanowski, 1987Based on data from 333. to 374. K. See also Eon, Pommier, et al., 1971 and Dykyj, Svoboda, et al., 1999.; AC
9.73338.N/ADitsent, Skorokhodov, et al., 1981Based on data from 323. to 425. K.; 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 to 373.53.89801715.367-4.69Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.837232.7Fujimori, Matsuda, et al., 2006AC

Gas phase ion energetics data

Go To: Top, Phase change data, Mass spectrum (electron ionization), 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:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.84PEVeszpremi, Nyulaszi, et al., 1988LL
8.60 ± 0.05PEBaker, Betteridge, et al., 1970RDSH

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics 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: 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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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1143
NIST MS number 230407

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References

Go To: Top, Phase change data, Gas phase ion energetics data, 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.

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]

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]

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]

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]

Fujimori, Matsuda, et al., 2006
Fujimori, H.; Matsuda, K.; Todoroki, A.; Asaji, T.; Oguni, M., Glass transition in the stable crystalline state of 2,5-dichlorothiophene, Journal of Non-Crystalline Solids, 2006, 352, 42-49, 4790-4792, https://doi.org/10.1016/j.jnoncrysol.2006.02.181 . [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]

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]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References