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2H-1-Benzopyran, 3,4-dihydro-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-82.4 ± 1.2kJ/molCcbChirico, Archer, et al., 1990 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
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-139.1 ± 1.2kJ/molCcbChirico, Archer, et al., 1990ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4831.63 ± 0.92kJ/molCcbChirico, Archer, et al., 1990Corresponding «DELTA»fliquid = -139.11 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid246.018J/mol*KN/AChirico, Archer, et al., 1990DH
liquid246.03J/mol*KN/AChirico, Nguyen, et al., 1986DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
213.966298.15Chirico, Archer, et al., 1990T = 10 to 500 K.; DH
214.00298.15Chirico, Nguyen, et al., 1986T = 10 to 450 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus269.836KN/AChirico, Nguyen, et al., 1986DH
Quantity Value Units Method Reference Comment
Deltavap56.7kJ/molVChirico, Archer, et al., 1990ALS
Deltavap56.7kJ/molN/AChirico, Archer, et al., 1990DRB
Quantity Value Units Method Reference Comment
Deltasub56.7 ± 0.1kJ/molIPM,EBChirico, Archer, et al., 1990Based on data from 293. - 535. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
487.70.989Weast and Grasselli, 1989BS
371.70.024Weast and Grasselli, 1989BS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
55.2 ± 0.1320.IPM,EBChirico, Archer, et al., 1990Based on data from 293. - 535. K.; AC
52.7 ± 0.1360.IPM,EBChirico, Archer, et al., 1990Based on data from 293. - 535. K.; AC
50.2 ± 0.1400.IPM,EBChirico, Archer, et al., 1990Based on data from 293. - 535. K.; AC
48.9 ± 0.1440.IPM,EBChirico, Archer, et al., 1990Based on data from 293. - 535. K.; AC
45.1 ± 0.3480.IPM,EBChirico, Archer, et al., 1990Based on data from 293. - 535. K.; AC
42.5 ± 0.5520.IPM,EBChirico, Archer, et al., 1990Based on data from 293. - 535. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
16.25537269.836Chirico, Archer, et al., 1990DH
16.26269.8Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
60.242269.836Chirico, Archer, et al., 1990DH

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C9H10O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
7.93PEBehan, Dean, et al., 1976LLK
8.43EILoudon, Maccoll, et al., 1970RDSH

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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 ORMSBG,10(11)992(1975); H. BUDZIKIEWICZ
NIST MS number 54713

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Chirico, Archer, et al., 1990
Chirico, R.D.; Archer, D.G.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V.; Gammon, B.E., The thermodynamic properties of chroman and isochroman, J. Chem. Thermodyn., 1990, 22, 665-682. [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]

Loudon, Maccoll, et al., 1970
Loudon, A.G.; Maccoll, A.; Wong, S.K., Comparison between unimolecular gas phase pyrolysis and electron impact fragmentation. Part I. The mass spectra of tetralin and some related heterocycles, J. Chem. Soc. B, 1970, 1727. [all data]


Notes

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