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2-Thiophenecarboxylic acid

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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

Quantity Value Units Method Reference Comment
Tboil533.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus400.KN/ABradley and Care, 1953Uncertainty assigned by TRC = 2. K; TRC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
23.2319.N/ADykyj, Svoboda, et al., 1999Based on data from 314. - 323. K.; AC
23.2319.EBradley and Care, 1953, 2Based on data from 315. - 323. K. See also Jones, 1960.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
5.0400.9DSCVictoria Roux, Temprado, et al., 2003AC

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Gas phase ion energetics 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.35EIDistefano, Pignataro, et al., 1973 
9.14 ± 0.05PEFringuelli, Marino, et al., 1976Vertical value

Mass spectrum (electron ionization)

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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 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 NIST Mass Spectrometry Data Center
NIST MS number 341152

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Gas Chromatography

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-11199.Tai and Ho, 199860. m/0.32 mm/1.0 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 280. C

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Bradley and Care, 1953
Bradley, R.S.; Care, A.D., The vapour pressure and lattice energy of hydrogen-bonded crystals: III 2- thenoic, 2-furoic, and pyrrole-2-carboxylic acids, J. Chem. Soc., 1953, 1953, 1688-90. [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]

Bradley and Care, 1953, 2
Bradley, R.S.; Care, A.D., 348. The vapour pressure and lattice energy of hydrogen-bonded crystals. Part III. 2-Thenoic, 2-furoic, and pyrrole-2-carboxylic acids, J. Chem. Soc., 1953, 1688, https://doi.org/10.1039/jr9530001688 . [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Victoria Roux, Temprado, et al., 2003
Victoria Roux, Maria; Temprado, Manuel; Jiménez, Pilar; Zenón Dávalos, Juan; Foces-Foces, Concepción; Victoria Garcia, Maria; Isabel Redondo, Maria, Thermophysical, crystalline and infrared studies of the 2- and 3-thiophenecarboxylic acids, Thermochimica Acta, 2003, 404, 1-2, 235-244, https://doi.org/10.1016/S0040-6031(03)00188-6 . [all data]

Distefano, Pignataro, et al., 1973
Distefano, G.; Pignataro, S.; Innorta, G.; Fringuelli, F.; Marino, G.; Taticchi, A., Ionization energies of selenophen, tellurophen and some of their derivatives, Chem. Phys. Lett., 1973, 22, 132. [all data]

Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S., Photoelectron spectra of the «alpha»-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies, J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]

Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T., Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds, J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t . [all data]


Notes

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