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2-Mercaptobenzothiazole

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus454.75KN/AWitschonke, 1954Uncertainty assigned by TRC = 0.3 K; TRC
Tfus455.15KN/AWitschonke, 1954Uncertainty assigned by TRC = 0.2 K; TRC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
20.56453.5DSCMentado, Flores, et al., 2008AC
22.3 ± 0.2455.9DSCTemprado, Roux, et al., 2008AC

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

Ionization energy determinations

IE (eV) Method Reference
7.99PEGuimon, 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 SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin BECKMAN INSTRUMENTS, KENNETH STINE
Source reference COBLENTZ NO. 06034
Date 1969/05/06
Name(s) 1,3-benzothiazole-2-thiol
1,3-benzothiazol-2-yl hydrosulfide
State SOLID (1.5 mg / 350 mg KBr DISC) VS AIR
Instrument BECKMAN IR-12 (GRATING)
Instrument parameters FILTERS AT 303, 473, 790, 1036, 1880, 2930 CM-1. GRATING CHANGE: 300.5, 650.0, 2000.4 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY
Melting point 180 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 NIST Mass Spectrometry Data Center, 2010
NIST MS number 384193

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 compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina


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

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

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Column type Active phase I Reference Comment
CapillarySE-301944.Vinogradov, 2004Program: not specified

References

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

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

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [all data]

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]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]


Notes

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