1,3-Benzenedicarboxylic acid, dimethyl ester
- Formula: C10H10O4
- Molecular weight: 194.1840
- IUPAC Standard InChI: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
- IUPAC Standard InChIKey: VNGOYPQMJFJDLV-UHFFFAOYSA-N
- CAS Registry Number: 1459-93-4
- 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: Isophthalic acid, dimethyl ester; Dimethyl isophthalate; Dimethyl m-phthalate; Dimethyl 1,3-benzenedicarboxylate; Methyl isophthalate; Methyl 3-(carbomethoxy)benzoate; Dimethylester kyseliny tereftalove; Dimethylester kyseliny isoftalove; Dimethyl benzene-1,3-dicarboxylate; Morflex 1129; Uniplex 270; 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester; NSC 15313
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -150.4 ± 0.48 | kcal/mol | Ccb | Roux, Jimenez, et al., 1998 | ALS |
| ΔfH°gas | -150.6 | kcal/mol | N/A | Colomina, Laynez, et al., 1972 | Value computed using ΔfHsolid° value of -730.9±1.0 kj/mol from Colomina, Laynez, et al., 1972 and ΔsubH° value of 100.9 kj/mol from Roux, Jimenez, et al., 1998.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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°solid | -174.5 ± 0.48 | kcal/mol | Ccb | Roux, Jimenez, et al., 1998 | |
| ΔfH°solid | -174.69 ± 0.24 | kcal/mol | Ccb | Colomina, Laynez, et al., 1972 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1107.6 ± 0.36 | kcal/mol | Ccb | Roux, Jimenez, et al., 1998 | Corresponding ΔfHºsolid = -174.5 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -1107.40 ± 0.21 | kcal/mol | Ccb | Colomina, Laynez, et al., 1972 | Corresponding ΔfHºsolid = -174.68 kcal/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Roux, Jimenez, et al., 1998
Roux, M.A.; Jimenez, P.; Davalos, J.Z.; Turrion, C.; Afeefy, H.Y.; Liebman, J.F.,
Enthalpies of formation of methyl benzenecarboxylates,
J. Chem. Soc. Faraday Trans., 1998, 94, 887-890. [all data]
Colomina, Laynez, et al., 1972
Colomina, M.; Laynez, J.L.; Perez-Ossorio, R.; Turrion, C.,
Enthalpies of combustion and formation of six methyl esters of benzene carboxylic acids,
J. Chem. Thermodyn., 1972, 4, 499-506. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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