Chemical Properties of Benzo[rst]pentaphene-5,8-dione (CAS 3302-52-1)

Benzo[rst]pentaphene-5,8-dione

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InChI
InChI=1S/C24H14O2/c25-23-17-7-3-1-5-13(17)15-9-10-16-14-6-2-4-8-18(14)24(26)20-12-11-19(23)21(15)22(16)20/h1-13,17H
InChI Key
FMVVSOMDKCGKDW-UHFFFAOYSA-N
Formula
C24H12O2
SMILES
O=C1c2ccccc2-c2ccc3c4c(ccc1c24)C(=O)C1C=CC=CC31
Molecular Weight1
332.35
CAS
3302-52-1
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Physical Properties

Property Value Unit Source
ΔcH°solid -10908.10 ± 6.70 kJ/mol NIST
ΔfG° 451.32 kJ/mol Joback Calculated Property
ΔfH°gas 153.15 kJ/mol Joback Calculated Property
ΔfusH° 37.97 kJ/mol Joback Calculated Property
ΔsubH° 113.00 kJ/mol NIST
ΔvapH° 87.47 kJ/mol Joback Calculated Property
log10WS -8.02 Crippen Calculated Property
logPoct/wat 5.073 Crippen Calculated Property
McVol 244.000 ml/mol McGowan Calculated Property
Pc 2163.33 kPa Joback Calculated Property
Tboil 1000.34 K Joback Calculated Property
Tc 1280.40 K Joback Calculated Property
Tfus 707.92 K Joback Calculated Property
Vc 0.952 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [781.02; 874.13] J/mol×K [1000.34; 1280.40] Show Hide
Cp,gas 781.02 J/mol×K 1000.34 Joback Calculated Property
Cp,gas 796.50 J/mol×K 1047.02 Joback Calculated Property
Cp,gas 811.64 J/mol×K 1093.69 Joback Calculated Property
Cp,gas 826.72 J/mol×K 1140.37 Joback Calculated Property
Cp,gas 842.00 J/mol×K 1187.04 Joback Calculated Property
Cp,gas 857.71 J/mol×K 1233.72 Joback Calculated Property
Cp,gas 874.13 J/mol×K 1280.40 Joback Calculated Property

Similar Compounds

Nalmefene. 3-O,6-O,N-Triacetylnormorphine. QUINIDINE, M(HO-), AC. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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