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2,2'-Bithiophene

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Phase change data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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
Tboil533.2KN/AWeast and Grasselli, 1989BS
Tboil533.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus306.KN/ABuckingham and Donaghy, 1982BS
Tfus305.KN/AWynberg and Logothetis, 1956Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Deltasub85.2 ± 0.4kJ/molMERibeiro da Silva, Santos, et al., 2009Based on data from 275. - 291. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
399.70.016Weast and Grasselli, 1989BS
398. - 401.0.016Buckingham and Donaghy, 1982BS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
86.0 ± 0.4283.MERibeiro da Silva, Santos, et al., 2009Based on data from 275. - 291. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
16.5304.2Temprado, Roux, et al., 2006AC

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, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.075 ± 0.020LPESSiegert, Vogeler, et al., 2011Neutral triplet state up 2.32 eV; B
0.0490 ± 0.0080LPESSchiedt, Knott, et al., 2000B

Ionization energy determinations

IE (eV) Method Reference Comment
7.83CTSKraak and Wynberg, 1968RDSH

Mass spectrum (electron ionization)

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

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Mass 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 Japan AIST/NIMC Database- Spectrum MS-NW-9191
NIST MS number 238052

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, Phase change data, Gas phase ion energetics data, 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 by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Sease and Zechmeister, 1947
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. 9765
Instrument Beckman DU
Melting point 33
Boiling point 260

Gas Chromatography

Go To: Top, 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

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11438.Rapior, Konska, et al., 200025. m/0.25 mm/0.13 «mu»m, He, 60. C @ 2. min, 4. K/min; Tend: 200. C

References

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

Siegert, Vogeler, et al., 2011
Siegert, S.; Vogeler, F.; Marian, C.M.; Weinkauf, R., Throwing light on dark states of alpha-oligothiophenes of chain lengths 2 to 6: radical anion photoelectron spectroscopy and excited-state theory, Phys. Chem. Chem. Phys., 2011, 13, 21, 10350-10363, https://doi.org/10.1039/c0cp02712j . [all data]

Schiedt, Knott, et al., 2000
Schiedt, J.; Knott, W.J.; Le Barbu, K.; Schlag, E.W.; Weinkauf, R., Microsolvation of similar-sized aromatic molecules: Photoelectron spectroscopy of bithiophene-, azulene-, and naphthalene-water anion clusters, J. Chem. Phys., 2000, 113, 21, 9470-9478, https://doi.org/10.1063/1.1319874 . [all data]

Kraak and Wynberg, 1968
Kraak, A.; Wynberg, H., Charge-transfer interaction of dithienyls and cyclopentadithiophenes with 1,3,5-trinitrobenzene (TNB), Tetrahedron, 1968, 24, 3881. [all data]

Sease and Zechmeister, 1947
Sease, J.W.; Zechmeister, L., J. Am. Chem. Soc., 1947, 69, 270. [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, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References