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Benzofuran, 2,3-dihydro-

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-46.5 ± 0.8kJ/molCcbSteele and Chirico, 1990 

Condensed 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-99.78 ± 0.72kJ/molCcbSteele and Chirico, 1990ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4191.62 ± 0.62kJ/molCcbSteele and Chirico, 1990Corresponding «DELTA»fliquid = -99.78 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid226.43J/mol*KN/AChirico, Nguyen, et al., 1986DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
188.64298.15Chirico, Nguyen, et al., 1986T = 10 to 450 K.; DH

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
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil461.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus250.890KN/AChirico, Nguyen, et al., 1986DH
Quantity Value Units Method Reference Comment
Deltavap53.3 ± 0.06kJ/molVSteele and Chirico, 1990ALS
Deltavap53.3kJ/molN/ASteele and Chirico, 1990DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
357.20.023Weast and Grasselli, 1989BS

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C8H8O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
7.65PEBaker, Armen, et al., 1981LLK
8.02PEBehan, Dean, et al., 1976LLK
8.4PEBaker, Armen, et al., 1981Vertical value; LLK

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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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-NW- 84
NIST MS number 229752

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, Eugeny B. Stern, Antonina A. Goncharova, 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 Ramart-Lucas, 1954
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. 3467
Instrument n.i.g.
Melting point -21.5
Boiling point 188.5

References

Go To: Top, Gas phase thermochemistry data, Condensed 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.

Steele and Chirico, 1990
Steele, W.V.; Chirico, R.D., Thermodynamics and the hydrodeoxygenation of 2,3-Benzofuran, Cooperative Agreement No. FC22-83FE60149 (NIPEP-457), IIT Research Institute, NIPEP, Bartlesville, OK 74005, 1990, 1-75. [all data]

Chirico, Nguyen, et al., 1986
Chirico, R.D.; Nguyen, A.; Steele, W.V.; Strube, M.M.; Hossenlopp, I.A.; Gammon, B.E., Thermochemical and thermophysical properties of organic compounds derived from fossil substances. Chemical thermodynamic properties of organic oxygen compounds found in fossil materials, NIPER Report, 1986, 135, 42p. [all data]

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]

Baker, Armen, et al., 1981
Baker, A.D.; Armen, G.H.; Guang-di, Y., Photoelectron spectra of alkyl aryl selenides. Electronic and steric factors in the observation of rotamers, J. Org. Chem., 1981, 46, 4127. [all data]

Behan, Dean, et al., 1976
Behan, J.M.; Dean, F.M.; Johnstone, R.A.W., Photoelectron spectra of cyclic aromatic ethers. The question of the Mills-Nixon effect, Tetrahedron, 1976, 32, 167. [all data]

Ramart-Lucas, 1954
Ramart-Lucas, M.P., Sur la structure electronique du carbone dans le furanne, le pyrrole et le thiofene, Bull. Soc. Chim. Fr., 1954, 21, 1017-1028. [all data]


Notes

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