1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-
- Formula: C8H8O3
- Molecular weight: 152.1473
- IUPAC Standard InChI: InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2
- IUPAC Standard InChIKey: KMOUUZVZFBCRAM-UHFFFAOYSA-N
- CAS Registry Number: 85-43-8
- 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. - Stereoisomers:
- Other names: 4-Cyclohexene-1,2-dicarboxylic anhydride; Δ4-Tetrahydrophthalic anhydride; Butadiene-maleic anhydride adduct; Maleic anhydride adduct of butadiene; Tetrahydrophthalic acid anhydride; Tetrahydrophthalic anhydride; 1,2,3,6-Tetrahydrophthalic acid anhydride; 1,2,3,6-Tetrahydrophthalic anhydride; 4-Cyclohexene-1,2-dicarboxylic acid anhydride; Anhydrid kyseliny tetrahydroftalove; Memtetrahydro phtalic anhydride; Phthalic anhydride, 1,2,3,6-tetrahydro-; Tetrahydroftalanhydrid; THPA; Cyclohex-4-en-1,2-dicarboxylic acid anhydride; NSC 82642; Rikacid TH
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Reaction thermochemistry data
Go To: Top, 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
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Individual Reactions
=
+
By formula: C8H8O3 = C4H6 + C4H2O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 67.79 ± 0.23 | kcal/mol | Cm | Ghitau, Ciopec, et al., 1983 | solid phase; At 65 to 90°C |
+
=
By formula: C4H6 + C4H2O3 = C8H8O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -67.788 | kcal/mol | Cm | Ghitau, Ciopec, et al., 1983 | liquid phase |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ghitau, Ciopec, et al., 1983
Ghitau, M.; Ciopec, M.; Pintea, O.,
Study on Diels-Alder reaction for the synthesis of tetrahydrophthalic anhydride,
Rev. Chim. (Bucharest), 1983, 34, 299-305. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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