1,3-Dioxolane, 2-phenyl-
- Formula: C9H10O2
- Molecular weight: 150.1745
- IUPAC Standard InChI: InChI=1S/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2
- 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, 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 |
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
| 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, 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]
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, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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