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1,3-Dioxolane, 2-phenyl-

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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-49.07 ± 0.31kcal/molCcrVerevkin, Dogan, et al., 1995See Beckhaus, Dogan, et al., 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-63.91 ± 0.31kcal/molCcrVerevkin, Dogan, et al., 1995See Beckhaus, Dogan, et al., 1990
Quantity Value Units Method Reference Comment
Deltacliquid-1124.1kcal/molCcrVerevkin, Dogan, et al., 1995See Beckhaus, Dogan, et al., 1990; Corresponding «DELTA»fliquid = -63.91 kcal/mol (simple calculation by NIST; no Washburn corrections)

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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil413.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Deltavap15.0 ± 0.2kcal/molGSVerevkin, 2002Based on data from 285. - 333. K.; AC
Deltavap14.85 ± 0.060kcal/molVVerevkin, Dogan, et al., 1995See Beckhaus, Dogan, et al., 1990; ALS
Deltavap14.8kcal/molN/AVerevkin, Dogan, et al., 1995DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
14.8 ± 0.07316.GSVerevkin, Dogan, et al., 1995Based on data from 298. - 333. K.; AC

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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 Chemical Concepts
NIST MS number 210349

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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
CapillaryZB-51224.Vazquez, Demmel, et al., 201130. m/0.25 mm/0.25 «mu»m, Nitrogen, 40. C @ 5. min, 5. K/min, 200. C @ 5. min
CapillaryOV-1011215.Zenkevich, Kharicheva, et al., 1999Helium, 60. C @ 0. min, 6. K/min, 240. C @ 0. min; Column length: 25. m; Column diameter: 0.20 mm

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-51215.Vazquez, Demmel, et al., 201130. m/0.25 mm/0.25 «mu»m, Nitrogen; Program: not specified

References

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

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

Verevkin, Dogan, et al., 1995
Verevkin, S.P.; Dogan, B.; Hdrich, J.; Beckhaus, H.-D.; Rchardt, C., Geminal substituent effects. VIII. Enthalpies of formation of acetals, J. Prakt. Chem., 1995, 337, 93-98. [all data]

Beckhaus, Dogan, et al., 1990
Beckhaus, H.D.; Dogan, B.; Verevkin, S.; Hadrich, J.; Ruchardt, C., Dependence of anomeric stabilization on structure in acetals, Angew. Chem. Int. Ed. Engl., 1990, 29, 320-321. [all data]

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

Verevkin, 2002
Verevkin, Sergey P., Improved Benson Increments for the Estimation of Standard Enthalpies of Formation and Enthalpies of Vaporization of Alkyl Ethers, Acetals, Ketals, and Ortho Esters, J. Chem. Eng. Data, 2002, 47, 5, 1071-1097, https://doi.org/10.1021/je020023o . [all data]

Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I., Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses, Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]

Zenkevich, Kharicheva, et al., 1999
Zenkevich, I.G.; Kharicheva, E.M.; Kostikov, R.R., Application of Molecular Dynamics Methods in Chromato Mass Spectral Identification of Products of Interaction of Ethoxycarbonylcarbene with Various Substrates, Zh. Org. Khim. (Rus.), 1999, 35, 11, 1600-1606. [all data]


Notes

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