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2-Mercapto-1,3-benzoxazole

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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference
5.4 ± 0.2468.3DSCMentado, Flores, et al., 2008
5.98470.DSCTemprado, Roux, et al., 2008

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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
8.14PEGuimon, Arbelot, et al., 1975

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 TENNESSEE EASTMAN COMPANY, RESEARCH LABORATORIES
Source reference COBLENTZ NO. 1376
Date Not specified, most likely prior to 1970
Name(s) 1,3-benzoxazole-2-thiol
1,3-benzoxazol-2-yl hydrosulfide
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 190-191 C

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

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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 Japan AIST/NIMC Database- Spectrum MS-NW-3269
NIST MS number 231390

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References

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

Mentado, Flores, et al., 2008
Mentado, Juan; Flores, Henoc; Amador, Patricia, Combustion energies and formation enthalpies of 2-SH-benzazoles, The Journal of Chemical Thermodynamics, 2008, 40, 7, 1106-1109, https://doi.org/10.1016/j.jct.2008.02.018 . [all data]

Temprado, Roux, et al., 2008
Temprado, Manuel; Roux, Maria Victoria; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Liebman, Joel F., Thermophysical properties in medium temperature range of several thio and dithiocarbamates, J Therm Anal Calorim, 2008, 91, 2, 471-475, https://doi.org/10.1007/s10973-007-8345-8 . [all data]

Guimon, Arbelot, et al., 1975
Guimon, C.; Arbelot, M.; Pfister-Guillouzo, G., Structure electronique de derives sulfures-VIII. Spectres photoelectroniques et electroniques d'J. Heterocycl. Chem. thiocarbonyles benzo-substitues, Spectrochim. Acta Part A, 1975, 31, 985. [all data]


Notes

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