Thiazole, 2-methyl-
- Formula: C4H5NS
- Molecular weight: 99.154
- IUPAC Standard InChIKey: VZWOXDYRBDIHMA-UHFFFAOYSA-N
- CAS Registry Number: 3581-87-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Other names: 2-Methylthiazole
- Information on this page:
- Other data available:
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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
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 |
---|---|---|---|---|---|
Tboil | 401.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 401.95 | K | N/A | Soulie, Bares, et al., 1975 | Uncertainty assigned by TRC = 0.25 K; calculated from Antoine eq. based on obs. vapor pressure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 248.43 | K | N/A | Meyer and Metzger, 1966 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 248.43 | K | N/A | Soulie, Goursot, et al., 1969 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 246.5 | K | N/A | Soulie, Goursot, et al., 1969 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 248.43 | K | N/A | Goursot and Westrum, 1968 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 246.53 | K | N/A | Goursot and Westrum, 1968 | Metastable crystal phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.42 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 402. K. See also Dykyj, Svoboda, et al., 1999.; AC |
9.56 | 357. | A | Stephenson and Malanowski, 1987 | Based on data from 342. to 404. K. See also Soulie, Goursot, et al., 1969, 2.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.906 | 248.6 | Goursot and Westrum, 1968, 2 | See also Soulie, Goursot, et al., 1969, 2.; AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.9061 | 248.43 | crystaline, I | liquid | Soulie, Goursot, et al., 1969, 3 | DH |
2.7130 | 246.5 | crystaline, II | liquid | Soulie, Goursot, et al., 1969, 3 | Metastable crystals.; DH |
2.9070 | 248.42 | crystaline, I | liquid | Goursot and Westrum, 1968, 3 | DH |
2.7120 | 246.5 | crystaline, II | liquid | Goursot and Westrum, 1968, 3 | Metastable crystal form.; DH |
2.90691 | 248.43 | crystaline, I | liquid | Goursot and Westrum, 1968, 4 | DH |
2.71269 | 246.53 | crystaline, II | liquid | Goursot and Westrum, 1968, 4 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
11.70 | 248.43 | crystaline, I | liquid | Soulie, Goursot, et al., 1969, 3 | DH |
11.01 | 246.5 | crystaline, II | liquid | Soulie, Goursot, et al., 1969, 3 | Metastable; DH |
11.70 | 248.42 | crystaline, I | liquid | Goursot and Westrum, 1968, 3 | DH |
11.00 | 246.5 | crystaline, II | liquid | Goursot and Westrum, 1968, 3 | Metastable; DH |
11.70 | 248.43 | crystaline, I | liquid | Goursot and Westrum, 1968, 4 | DH |
11.00 | 246.53 | crystaline, II | liquid | Goursot and Westrum, 1968, 4 | DH |
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 evaluated by: Edward P. Hunter and Sharon G. Lias
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 222.4 | kcal/mol | N/A | Hunter and Lias, 1998 | |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 214.8 | kcal/mol | N/A | Hunter and Lias, 1998 |
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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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 | TNO Volatile Compounds in Food - Chemical Concepts |
NIST MS number | 249119 |
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]
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
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J.,
Thermochemical properties of 2-methylthiazole,
J. Chim. Phys. Phys.-Chim. Biol., 1969, 66, 607-10. [all data]
Goursot and Westrum, 1968
Goursot, P.; Westrum, E.F.,
Heat capacity and thermodynamic properties of 2-methylthiazole from 5 to 25 0 k,
J. Chem. Eng. Data, 1968, 13, 468-71. [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]
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]
Soulie, Goursot, et al., 1969, 2
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J.,
J. Chim. Phys. Phys.-Chim. Biol., 1969, 66, 4, 607. [all data]
Goursot and Westrum, 1968, 2
Goursot, P.; Westrum, E.F., Jr.,
C. R. Acad. Sci. Paris, Ser. C, 1968, 266, 667. [all data]
Soulie, Goursot, et al., 1969, 3
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J.,
Properties thermochimiques du methyl-2 thiazole,
J. chim. Phys. physicochim. Biol., 1969, 66, 607-610. [all data]
Goursot and Westrum, 1968, 3
Goursot, P.; Westrum, E.F., Jr.,
Heat capacity and thermodynamic properties of 2-methylthiazole from 5 to 350K,
J. Chem. Eng. Data, 1968, 13, 468-471. [all data]
Goursot and Westrum, 1968, 4
Goursot, P.; Westrum, E.F., Jr.,
Mesure de la capacite calorifique du methyl-2 thiazole de 5 a 300K,
Compt. rend., 1968, C266, 667-668. [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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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