Thiophene, 2,5-dimethyl-
- Formula: C6H8S
- Molecular weight: 112.193
- IUPAC Standard InChIKey: GWQOOADXMVQEFT-UHFFFAOYSA-N
- CAS Registry Number: 638-02-8
- 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. - Other names: 2,5-Dimethylthiophene
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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:
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 | 409.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 204.87 | K | N/A | Carlson and Westrum, 1965 | Metastable crystal phase; Uncertainty assigned by TRC = 0.06 K; TRC |
Ttriple | 210.58 | K | N/A | Carlson and Westrum, 1965 | Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 40.2 ± 0.9 | kJ/mol | C | Ribeiro da Silva and Santos, 2008 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
407.2 | 0.987 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
39.7 | 348. | IA | Stephenson and Malanowski, 1987 | Based on data from 333. to 374. K. See also Eon, Pommier, et al., 1971 and Dykyj, Svoboda, et al., 1999.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
333.4 to 373.5 | 4.8737 | 1925.967 | -12.704 | Eon, Pommier, et al., 1971 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.91 | 210.6 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
8.1910 | 210.58 | crystaline, I | liquid | Carlson and Westrum, 1965, 2 | DH |
7.4011 | 204.87 | crystaline, II | liquid | Carlson and Westrum, 1965, 2 | Metastable crystals. Note error in table on Hm and Tm.; DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
38.90 | 210.58 | crystaline, I | liquid | Carlson and Westrum, 1965, 2 | DH |
36.12 | 204.87 | crystaline, II | liquid | Carlson and Westrum, 1965, 2 | Metastable; DH |
References
Go To: Top, Phase change data, 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]
Carlson and Westrum, 1965
Carlson, H.G.; Westrum, E.F.,
2,5-Dimethylthiopnehe. Heat Capacities and Thermodynamic Properties from 5 to 300 K and Fusion of Stable and Metastable Phases,
J. Phys. Chem., 1965, 69, 1524. [all data]
Ribeiro da Silva and Santos, 2008
Ribeiro da Silva, Manuel A.V.; Santos, Ana Filipa L.O.M.,
Experimental study on the thermochemistry of 2,5-dimethylthiophene and its acetyl derivative,
The Journal of Chemical Thermodynamics, 2008, 40, 8, 1217-1221, https://doi.org/10.1016/j.jct.2008.04.005
. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Carlson and Westrum, 1965, 2
Carlson, H.G.; Westrum, E.F., Jr.,
2,5-Dimethylthiophene. Heat capacities and thermodynamic properties from 5 to 300 K and fusion of stable and metastable phases,
J. Phys. Chem., 1965, 68, 1524-1530. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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