Chemical Properties of 4,7-Diphenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione (CAS 20929-46-8)

4,7-Diphenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione

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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
CAS
20929-46-8
Other Names
  • 4,7-Diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
  • 3,6-Diphenyl-4-cyclohexene-1,2-dicarboxylic anhydride
  • 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
ΔfG° 110.78 kJ/mol Joback Calculated Property
ΔfH°gas -246.25 kJ/mol Joback Calculated Property
ΔfusH° 35.97 kJ/mol Joback Calculated Property
ΔvapH° 77.69 kJ/mol Joback Calculated Property
log10WS -4.13 Crippen Calculated Property
logPoct/wat 3.440 Crippen Calculated Property
McVol 228.130 ml/mol McGowan Calculated Property
Pc 2246.13 kPa Joback Calculated Property
Tboil 889.06 K Joback Calculated Property
Tc 1171.11 K Joback Calculated Property
Tfus 548.61 K Joback Calculated Property
Vc 0.849 m3/kmol Joback Calculated Property

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, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. (-)-11-nor-9-carboxy-.DELTA.9-THC, trimethylsilyl ether, trimethylsilyl ester. SCHEMBL9488362. 11-Dehydroestrone (enol), TMS. Benzo[rst]pentaphene-5,8-dione. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. [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»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Paclitaxel. Deserpidine. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

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Sources

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