Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

Thiazole

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid169.95J/mol*KN/ASoulie, Goursot, et al., 1969 
liquid169.95J/mol*KN/AGoursot and Westrum, 1968 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
121.00298.15Soulie, Goursot, et al., 1969T = 4 to 350 K.
121.00298.15Goursot and Westrum, 1968T = 5 to 340 K. Glass transition 145 to 175 K.

Phase change data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil390.7KN/AWeast and Grasselli, 1989BS
Tboil391.39KN/ASoulie, Bares, et al., 1975Uncertainty assigned by TRC = 0.2 K; calculated from Antoine equations based on obs. data; TRC
Quantity Value Units Method Reference Comment
Tfus239.58KN/AMeyer and Metzger, 1966Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Ttriple239.53KN/ASoulie, Goursot, et al., 1969, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple239.48KN/AGoursot and Westrum, 1968, 2Uncertainty assigned by TRC = 0.02 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
39.7348.AStephenson and Malanowski, 1987Based on data from 333. - 393. K.; AC
38.9351.AStephenson and Malanowski, 1987Based on data from 336. - 391. K. See also Soulie, Goursot, et al., 1969, 3.; AC

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
336.13 - 391.414.265471424.453-56.993Soulie, Goursot, et al., 1969, 4Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.5397239.53Soulie, Goursot, et al., 1969DH
9.590239.48Goursot and Westrum, 1968DH
9.58239.4Goursot, Westrum, et al., 1968See also Meyer and Metzger, 1966.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
40.04239.53Soulie, Goursot, et al., 1969DH
40.04239.48Goursot and Westrum, 1968DH

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

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)904.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity872.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.50PEDaamen, Oskam, et al., 1979Vertical value; LLK

IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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

Gas Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 341368

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

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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 by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source missing citation
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. 9074
Instrument Zeiss PMQ II
Boiling point 118

References

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

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

Soulie, Goursot, et al., 1969
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J., Properties thermochimiques du thiazole, J. chim. Phys. physicochim. Biol., 1969, 66, 603-606. [all data]

Goursot and Westrum, 1968
Goursot, P.; Westrum, E.F., Jr., Heat capacity and thermodynamic functions of thiazole from 5 to 340K, J. Chem. Eng. Data, 1968, 13, 471-475. [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]

Soulie, Bares, et al., 1975
Soulie, M.A.; Bares, D.; Metzger, J., Vapor Pressures of Some Azaaromatic Compounds, C. R. Seances Acad. Sci., Ser. C, 1975, 281, 341. [all data]

Meyer and Metzger, 1966
Meyer, R.; Metzger, J., C. R. Acad. Sci. Paris, Ser. C, 1966, 263, 1333. [all data]

Soulie, Goursot, et al., 1969, 2
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J., Thermodynamic properties of thiazole, J. Chim. Phys. Phys.-Chim. Biol., 1969, 66, 603-6. [all data]

Goursot and Westrum, 1968, 2
Goursot, P.; Westrum, E.F., Heat capacity and thermodynamic functions of thiazole from 5 to 340 K, J. Chem. Eng. Data, 1968, 13, 471. [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]

Soulie, Goursot, et al., 1969, 3
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J., J. Chim. Phys. Phys.-Chim. Biol., 1969, 66, 4, 603. [all data]

Soulie, Goursot, et al., 1969, 4
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J., Proprietes Thermochimiques du Thiazole, J. Chim. Phys. Phys. Chim. Biol., 1969, 66, 603-610. [all data]

Goursot, Westrum, et al., 1968
Goursot, P.; Westrum, E.F., Jr.; Metzger, J., C. R. Acad. Sci. Paris, Ser. C, 1968, 266, 590. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Daamen, Oskam, et al., 1979
Daamen, H.; Oskam, A.; Stufkens, D.J.; Waaijers, H.W., Bonding properties of group VIB metal pentacarbonyl azole complexes studied by electronic absorption, photoelectron, 13C NMR and vibrational spectroscopy, Inorg. Chim. Acta, 1979, 34, 253. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References