2,2'-Bithiophene
- Formula: C8H6S2
- Molecular weight: 166.263
- IUPAC Standard InChIKey: OHZAHWOAMVVGEL-UHFFFAOYSA-N
- CAS Registry Number: 492-97-7
- 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: 2,2'-Bithienyl; 2,2'-Dithienyl; 2,2'-Dithiophene; Dithienyl
- Information on this page:
- Other data available:
- 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, Mass spectrum (electron ionization), Gas Chromatography, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 533.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 533. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 306. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tfus | 305. | K | N/A | Wynberg and Logothetis, 1956 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 20.4 ± 0.1 | kcal/mol | ME | Ribeiro da Silva, Santos, et al., 2009 | Based on data from 275. to 291. K.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
399.7 | 0.016 | Weast and Grasselli, 1989 | BS |
398. to 401. | 0.016 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.6 ± 0.1 | 283. | ME | Ribeiro da Silva, Santos, et al., 2009 | Based on data from 275. to 291. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.94 | 304.2 | Temprado, Roux, et al., 2006 | AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-9191 |
NIST MS number | 238052 |
Gas Chromatography
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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1438. | Rapior, Konska, et al., 2000 | 25. m/0.25 mm/0.13 μm, He, 60. C @ 2. min, 4. K/min; Tend: 200. C |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Wynberg and Logothetis, 1956
Wynberg, H.; Logothetis, A.,
Studies in the Synthesis of Long-chain Compounds,
J. Am. Chem. Soc., 1956, 78, 1958. [all data]
Ribeiro da Silva, Santos, et al., 2009
Ribeiro da Silva, Manuel A.V.; Santos, Ana Filipa L.O.M.; Gomes, Jose R.B.; Roux, Maria Victoria; Temprado, Manuel; Jimenez, Pilar; Notario, Rafael,
Thermochemistry of Bithiophenes and Thienyl Radicals. A Calorimetric and Computational Study,
J. Phys. Chem. A, 2009, 113, 41, 11042-11050, https://doi.org/10.1021/jp905531c
. [all data]
Temprado, Roux, et al., 2006
Temprado, Manuel; Roux, Maria Victoria; Jiménez, Pilar; Guzmán-Mejía, Ramón; Juaristi, Eusebio,
Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives,
Thermochimica Acta, 2006, 441, 1, 20-26, https://doi.org/10.1016/j.tca.2005.11.024
. [all data]
Rapior, Konska, et al., 2000
Rapior, S.; Konska, G.; Guillot, J.; Andary, C.; Bessiere, J.-M.,
Volatile composition of Laetiporus sulphureus,
Cryptogamie, Mycol., 2000, 21, 1, 67-72, https://doi.org/10.1016/S0181-1584(00)00109-3
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - 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.