Chemical Properties of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride (CAS 4773-89-1)

1,4-Cyclohexadiene-1,2-dicarboxylic anhydride

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InChI
InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2H,3-4H2
InChI Key
XCGJCRKHWHYKIE-UHFFFAOYSA-N
Formula
C8H6O3
SMILES
O=C1OC(=O)C2=C1CC=CC2
Molecular Weight1
150.13
CAS
4773-89-1
Other Names
  • 1,3-Isobenzofurandione, 4,7-dihydro-
  • Cyclohexa-1,4-diene-1,2-dicarboxylic acid, anhydride
Sources

Physical Properties

Property Value Unit Source
Δf -173.54 kJ/mol Joback Calculated Property
Δfgas -355.43 kJ/mol Joback Calculated Property
Δfus 12.97 kJ/mol Joback Calculated Property
Δvap 49.27 kJ/mol Joback Calculated Property
logPoct/wat 0.716 Crippen Calculated Property
Pc 4553.06 kPa Joback Calculated Property
Tboil 588.94 K Joback Calculated Property
Tc 849.01 K Joback Calculated Property
Tfus 403.29 K Joback Calculated Property
Vc 0.383 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 246.35 J/mol×K 588.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-O- (ring) 1
>C=O (ring) 2
-CH2- (ring) 2
=CH- (ring) 2

Similar Compounds

3-Ethyl-4-methyl-2,5-furandione. Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate. 1-Cyclohexene-1,2-dicarboxylic anhydride. 1,4-Cyclohexadiene-1-carboxylic acid, methyl ester. 2,5-Furnadione, 3-(1-methylethyl)-. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. Dimethylbicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate. 2,5-Furandione, 3,4-dimethyl-. Bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylic acid. 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-. Confertifolin. Dihydrocuminic alcohol, acetate. Sencyunolide. (5a«alpha»,9a«alpha»)-4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethylnaphtho[1,2-c]furan-1(3H)-one (isodrimenin). sedanonic acid lactone.

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