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Furan, 2,5-dimethyl-

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Gas phase thermochemistry 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.70150.Thermodynamics Research Center, 1997p=1 bar. Selected entropy and heat capacity at 298.15 K are in close agreement with statistical values calculated by [ Green J.H.S., 1977].
14.00100.
17.25150.
20.30200.
25.363273.15
27.235298.15
27.376300.
34.873400.
41.589500.
47.239600.
51.953700.
55.911800.
59.261900.
62.1131000.
64.5511100.
66.6401200.
68.4371300.
69.9881400.
71.3311500.

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
Tboil367. ± 1.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap7.60 ± 0.07kcal/molGSVerevkin and Welle, 1998Based on data from 271. - 308. K.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.72 ± 0.07290.GSVerevkin and Welle, 1998Based on data from 271. - 308. K.; AC

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C6H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)207.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity199.6kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.8PEVeszpremi, Nyulaszi, et al., 1987LBLHLM
8.25 ± 0.10EIGrutzmacher and Spilker, 1985LBLHLM
8.03PEVeszpremi, Nyulaszi, et al., 1987Vertical value; LBLHLM

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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 Japan AIST/NIMC Database- Spectrum MS-IW-3414
NIST MS number 233792

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

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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: 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 Shellum and Birks, 1987
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. 17164
Instrument unknown
Boiling point 93.5

References

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

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

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Green J.H.S., 1977
Green J.H.S., Spectroscopic and thermodynamic properties of furan derivatives. I. 2- and 2,5-substituted compounds, Spectrochim. Acta, 1977, A33, 843-848. [all data]

Verevkin and Welle, 1998
Verevkin, Sergey P.; Welle, Frank M., Structural Chemistry, 1998, 9, 3, 215-221, https://doi.org/10.1023/A:1022475115296 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Veszpremi, Nyulaszi, et al., 1987
Veszpremi, T.; Nyulaszi, L.; Nagy, J., Ultraviolet photoelectron spectroscopy and quantum-mechanical study of alkyl- and trimethylsilyl-furanes, J. Organomet. Chem., 1987, 331, 175. [all data]

Grutzmacher and Spilker, 1985
Grutzmacher, H.-F.; Spilker, R., Loss of CO from 4,6-dimethyl-2-pyrone and 2,6-dimethyl-4-pyrone radical cations, Org. Mass Spectrom., 1985, 20, 258. [all data]

Shellum and Birks, 1987
Shellum, C.L.; Birks, J.W., Anal. Chem., 1987, 59, 1834. [all data]


Notes

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