Chemical Properties of 4,7-DIPHENYL-3A,4,7,7A-TETRAHYDROISOBENZOFURAN-1,3-DIONE

4,7-DIPHENYL-3A,4,7,7A-TETRAHYDROISOBENZOFURAN-1,3-DIONE

InChI
InChI=1S/C20H16O3/c21-19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20(22)23-19)14-9-5-2-6-10-14/h1-12,15-18H
InChI Key
QBTDNXVTAHQRRU-UHFFFAOYSA-N
Formula
C20H16O3
SMILES
O=C1OC(=O)C2C(c3ccccc3)C=CC(c3ccccc3)C12
Molecular Weight1
304.34
Other Names
  • 3,6-Diphenyl-4-cyclohexene-1,2-dicarboxylic anhydride
  • 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
  • 4-Cyclohexene-1,2-dicarboxylic anhydride, 3,6-diphenyl-
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Physical Properties

Property Value Unit Source
ΔcH°solid -9759.60 ± 4.20 kJ/mol NIST
ΔfusH° 35.97 kJ/mol Joback Calculated Property
logPoct/wat 3.440 Crippen Calculated Property
McVol 228.130 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [742.98; 809.83] J/mol×K [889.06; 1171.11] Show Hide
Cp,gas 742.98 J/mol×K 889.06 Joback Calculated Property
Cp,gas 759.68 J/mol×K 936.07 Joback Calculated Property
Cp,gas 774.08 J/mol×K 983.08 Joback Calculated Property
Cp,gas 786.23 J/mol×K 1030.09 Joback Calculated Property
Cp,gas 796.20 J/mol×K 1077.10 Joback Calculated Property
Cp,gas 804.05 J/mol×K 1124.10 Joback Calculated Property
Cp,gas 809.83 J/mol×K 1171.11 Joback Calculated Property

Similar Compounds

Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. SCHEMBL9488362. (-)-11-nor-9-carboxy-.DELTA.9-THC, trimethylsilyl ether, trimethylsilyl ester. 11-Dehydroestrone (enol), TMS. Benzo[rst]pentaphene-5,8-dione. acetylepibaptifoline. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. DIHYDROERGOTAMINE. Nicocodine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Deserpidine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Hydromorphone, tert-butyldimethylsilyl ether. TCN.

Find more compounds similar to 4,7-DIPHENYL-3A,4,7,7A-TETRAHYDROISOBENZOFURAN-1,3-DIONE.

Sources

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