1,3-Dioxolane, 2-phenyl-
- Formula: C9H10O2
- Molecular weight: 150.1745
- IUPAC Standard InChIKey: LYINTWKRUWVLBA-UHFFFAOYSA-N
- CAS Registry Number: 936-51-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzaldehyde ethylene acetal; 2-Phenyl-1,3-dioxolane
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Gas phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -49.07 ± 0.31 | kcal/mol | Ccr | Verevkin, Dogan, et al., 1995 | See Beckhaus, Dogan, et al., 1990 |
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 |
---|---|---|---|---|---|
Tboil | 413.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 15.0 ± 0.2 | kcal/mol | GS | Verevkin, 2002 | Based on data from 285. to 333. K.; AC |
ΔvapH° | 14.85 ± 0.060 | kcal/mol | V | Verevkin, Dogan, et al., 1995 | See Beckhaus, Dogan, et al., 1990; ALS |
ΔvapH° | 14.8 | kcal/mol | N/A | Verevkin, Dogan, et al., 1995 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.8 ± 0.07 | 316. | GS | Verevkin, Dogan, et al., 1995 | Based on data from 298. to 333. K.; AC |
Mass spectrum (electron ionization)
Go To: Top, Gas 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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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 |
Gas Chromatography
Go To: Top, Gas 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-5 | 1224. | Vazquez, Demmel, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min, 200. C @ 5. min |
Capillary | OV-101 | 1215. | Zenkevich, Kharicheva, et al., 1999 | Helium, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-5 | 1215. | Vazquez, Demmel, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
References
Go To: Top, Gas 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
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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