2-Methoxy-1,3-dioxolane
- Formula: C4H8O3
- Molecular weight: 104.1045
- IUPAC Standard InChIKey: VRAYTNFBRROPJU-UHFFFAOYSA-N
- CAS Registry Number: 19693-75-5
- 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: 1,3-Dioxolane, 2-methoxy-
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Gas phase thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -483.2 ± 1.1 | kJ/mol | Ccb | Rakus, Verevkin, et al., 1995 | |
ΔfH°gas | -481.6 ± 5.3 | kJ/mol | Cm | Guthrie, 1977 | Hydrolysis |
Condensed phase thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -530.01 ± 0.69 | kJ/mol | Ccb | Rakus, Verevkin, et al., 1995 | |
ΔfH°liquid | -523.2 ± 3.3 | kJ/mol | Cm | Guthrie, 1977 | Hydrolysis |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2187.34 ± 0.89 | kJ/mol | Ccb | Rakus, Verevkin, et al., 1995 | Corresponding ΔfHºliquid = -530.02 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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
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 | 402.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 46.4 ± 0.8 | kJ/mol | GS | Verevkin, 2002 | Based on data from 278. to 308. K.; AC |
ΔvapH° | 46.8 ± 0.8 | kJ/mol | V | Rakus, Verevkin, et al., 1995 | ALS |
ΔvapH° | 46.8 | kJ/mol | N/A | Rakus, Verevkin, et al., 1995 | DRB |
ΔvapH° | 41.6 ± 4.2 | kJ/mol | E | Guthrie, 1977 | Hydrolysis; ALS |
ΔvapH° | 41.6 | kJ/mol | N/A | Guthrie, 1977 | DRB |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
46.8 ± 0.8 | 278. to 308. | GS | Rakus, Verevkin, et al., 1995 | AC |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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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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-6063 |
NIST MS number | 236054 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
Rakus, Verevkin, et al., 1995
Rakus, K.; Verevkin, S.P.; Peng, W.-H.; Beckhaus, H.D.; Ruchardt, C.,
The anomeric effect in orthoesters - the concept of geminal pairwise interactions for the interpretation of standard enthalpies of formation,
Liebigs Ann., 1995, 2059-2067. [all data]
Guthrie, 1977
Guthrie, J.P.,
Cyclization of glycol monoesters to give hemiorthoesters: a test of the thermochemical method for determining free energies of tetrahedral intermediates,
Can. J. Chem., 1977, 55, 3562-3574. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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