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2-Furancarboxylic 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
Tboil504.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus406.65KN/ALandrieu, Baylocq, et al., 1929Uncertainty assigned by TRC = 1. K; TRC
Tfus405.15KN/AHartley and Dobbie, 1898Uncertainty assigned by TRC = 0.7 K; TRC
Quantity Value Units Method Reference Comment
Deltasub21.1 ± 0.36kcal/molMERoux, Temprado, et al., 2003Based on data from 285. - 304. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
415.70.026Weast and Grasselli, 1989BS

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
25.91 ± 0.53317. - 328.MEBradley and Care, 1953See also Jones, 1960 and Cox and Pilcher, 1970.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
5.40402.5DSCRoux, Temprado, et al., 2004AC

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

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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.17PEKlapstein, MacPherson, et al., 1990LL
9.32PEKlapstein, MacPherson, et al., 1990Vertical value; LL
9.16 ± 0.05PEFringuelli, Marino, et al., 1976Vertical value; LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby


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 332769

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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

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5MS1087.8Tret'yakov, 200730. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.

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]

Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

Hartley and Dobbie, 1898
Hartley, W.N.; Dobbie, J.J., The ultraviolet absorption spectra of some closed chain carbon compounds, J. Chem. Soc., 1898, 73, 598. [all data]

Roux, Temprado, et al., 2003
Roux, Maria Victoria; Temprado, Manuel; Jiménez, Pilar; Pérez-Parajón, Pilar; Notario, Rafael, Thermochemistry of Furancarboxylic Acids, J. Phys. Chem. A, 2003, 107, 51, 11460-11467, https://doi.org/10.1021/jp030772s . [all data]

Bradley and Care, 1953
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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Roux, Temprado, et al., 2004
Roux, Maria Victoria; Temprado, Manuel; Jiménez, Pilar; Foces-Foces, Concepción; Garcia, Maria Victoria; Redondo, Maria Isabel, 2- and 3-furancarboxylic acids: a comparative study using calorimetry, IR spectroscopy and X-ray crystallography, Thermochimica Acta, 2004, 420, 1-2, 59-66, https://doi.org/10.1016/j.tca.2003.12.031 . [all data]

Klapstein, MacPherson, et al., 1990
Klapstein, D.; MacPherson, C.D.; O'Brien, R.T., The photoelectron spectra and electronic structure of 2-carbonyl furans, Can. J. Chem., 1990, 68, 747. [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]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]


Notes

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