Thiophene, 2-bromo-
- Formula: C4H3BrS
- Molecular weight: 163.036
- IUPAC Standard InChIKey: TUCRZHGAIRVWTI-UHFFFAOYSA-N
- CAS Registry Number: 1003-09-4
- 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-Bromothiophene; 2-Thienyl bromide; Thienyl bromide
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
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.
Phase change data
Go To: Top, 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 | 423.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 203.9 | K | N/A | Gonthier-Vassal, Szwarc, et al., 1992 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 204.30 | K | N/A | Fujimori and Oguni, 1993 | Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.9 | 348. | A,I | Stephenson and Malanowski, 1987 | Based on data from 333. to 373. 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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
333.4 to 373.5 | 3.39919 | 1465.228 | 0.878 | Eon, Pommier, et al., 1971 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.9 | 203.9 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0139 | 55.3 | crystaline, II | crystaline, I | Fujimori and Oguni, 1993, 2 | DH |
7.903 | 205.30 | crystaline, I | liquid | Fujimori and Oguni, 1993, 2 | DH |
6.290 | 196.2 | crystaline, III | liquid | Gonthier-Vassal and Szwarc, 1992 | DH |
6.500 | 200.3 | crystaline, II | liquid | Gonthier-Vassal and Szwarc, 1992 | DH |
7.580 | 203.9 | crystaline, I | liquid | Gonthier-Vassal and Szwarc, 1992 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.251 | 55.3 | crystaline, II | crystaline, I | Fujimori and Oguni, 1993, 2 | DH |
38.43 | 205.30 | crystaline, I | liquid | Fujimori and Oguni, 1993, 2 | DH |
32.1 | 196.2 | crystaline, III | liquid | Gonthier-Vassal and Szwarc, 1992 | DH |
32.5 | 200.3 | crystaline, II | liquid | Gonthier-Vassal and Szwarc, 1992 | DH |
37.2 | 203.9 | crystaline, I | liquid | Gonthier-Vassal and Szwarc, 1992 | 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]
Gonthier-Vassal, Szwarc, et al., 1992
Gonthier-Vassal, A.; Szwarc, H.; Romain, F.,
DSC study of 2-bromothiophene: a compound with three melting points,
Thermochim. Acta, 1992, 202, 87. [all data]
Fujimori and Oguni, 1993
Fujimori, H.; Oguni, M.,
Construction of an adiabatic calorimeter at low-temp and glass transition of crystalline 2-bromothiophene,
J. Phys. Chem. Solids, 1993, 54, 271. [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]
Fujimori and Oguni, 1993, 2
Fujimori, H.; Oguni, M.,
Construction of an adiabatic calorimeter at low temperatures and glass transition of crystalline 2-bromothiophene,
J. Phys. Chem. Solids, 1993, 54(2), 271-280. [all data]
Gonthier-Vassal and Szwarc, 1992
Gonthier-Vassal, A.; Szwarc, H.,
and Romain F., DSC study of 2-bromothiophene: a compound with three melting points,
Thermochim. Acta, 1992, 202, 87-96. [all data]
Notes
Go To: Top, Phase change data, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.