Methyl 2-furoate
- Formula: C6H6O3
- Molecular weight: 126.1100
- IUPAC Standard InChI: InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
- IUPAC Standard InChIKey: HDJLSECJEQSPKW-UHFFFAOYSA-N
- CAS Registry Number: 611-13-2
- 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. - Species with the same structure:
- Other names: 2-Furancarboxylic acid, methyl ester; 2-Furoic acid, methyl ester; Methyl pyromucate; Methyl 2-furancarboxylate; Pyromucic acid methyl ester; Methyl α-furoate; Furan-α-carboxylic acid methyl ester; 2-(Methoxycarbonyl)furan; Methyl 2-furylcarboxylate; NSC 35551; Methyl furoate; Furancarboxylic acid, methyl ester; Furoic acid, methyl ester
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -96.8 ± 0.5 | kcal/mol | Ccb | Balepin, Lebedev, et al., 1980 | see Balepin, Lebedev, et al., 1978 |
Condensed phase thermochemistry data
Go To: Top, Gas 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -107.6 ± 0.1 | kcal/mol | Ccb | Balepin, Lebedev, et al., 1980 | see Balepin, Lebedev, et al., 1978 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -661.7 ± 0.1 | kcal/mol | Ccb | Balepin, Lebedev, et al., 1980 | see Balepin, Lebedev, et al., 1978; Corresponding ΔfHºliquid = -107.6 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 454.5 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 10.8 ± 0.2 | kcal/mol | V | Balepin, Lebedev, et al., 1980 | see Balepin, Lebedev, et al., 1978; ALS |
| ΔvapH° | 10.8 | kcal/mol | N/A | Balepin, Lebedev, et al., 1980 | DRB |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.62 | 454.8 | V | Mathews and Fehlandt, 1931 | ALS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Balepin, Lebedev, et al., 1980
Balepin, A.A.; Lebedev, V.P.; Kuznetsova, A.A.; Venter, K.K.; Trushule, M.A.; Lolya, D.O.; Lebedev, Yu.A.,
Thermochemical properties of α-nitro derivatives of furan,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1980, 601-604. [all data]
Balepin, Lebedev, et al., 1978
Balepin, A.A.; Lebedev, V.P.; Kuznetsova, A.A.; Venters, K.; Trusule, M.; Ignatovich, L.M.; Lebedev, Yu.A.,
Aromatic stabilizatio of furan derivatives,
Vses. Nauchn. Konf. Khim. Tekhnol. Furanovykh Soedin., [Tezisy Dokl.], 1978, 3, 57-58. [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]
Mathews and Fehlandt, 1931
Mathews, J.H.; Fehlandt, P.R.,
The heats of vaporization of some organic compounds,
J. Am. Chem. Soc., 1931, 53, 3212-32. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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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