Chemical Properties of 2,5-Cyclohexadien-1-one, 4-(4-oxo-2,5-cyclohexadien-1-ylidene)- (CAS 494-72-4)

2,5-Cyclohexadien-1-one, 4-(4-oxo-2,5-cyclohexadien-1-ylidene)-

InChI
InChI=1S/C12H8O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChI Key
DDTHMESPCBONDT-UHFFFAOYSA-N
Formula
C12H8O2
SMILES
O=C1C=CC(=C2C=CC(=O)C=C2)C=C1
Molecular Weight1
184.19
CAS
494-72-4
Other Names
  • [Bi-2,5-cyclohexadien-1-ylidene]-4,4'-dione
  • Diphenoquinone
  • 4,4'-Diphenoquinone
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Physical Properties

Property Value Unit Source
ω 0.3862 Relay (1.0) Calculated Property
ΔfG° -0.16 kJ/mol Joback Calculated Property
ΔfH°gas 51.85 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.72 kJ/mol Joback Calculated Property
ΔvapH° 93.69 kJ/mol Relay (1.0) Calculated Property
IE 8.00 eV Relay (1.0) Calculated Property
log10WS -2.90 Relay (1.0) Calculated Property
logPoct/wat 1.673 Crippen Calculated Property
McVol 139.860 ml/mol McGowan Calculated Property
Pc 3568.53 kPa Joback Calculated Property
Tboil 567.82 K Relay (1.0) Calculated Property
Tc 783.50 K Relay (1.0) Calculated Property
Tfus 446.50 K Relay (1.0) Calculated Property
Vc 0.459 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [348.34; 421.66] J/mol×K [663.80; 939.01] Show Hide
Cp,gas 348.34 J/mol×K 663.80 Joback Calculated Property
Cp,gas 363.99 J/mol×K 709.67 Joback Calculated Property
Cp,gas 378.31 J/mol×K 755.54 Joback Calculated Property
Cp,gas 391.26 J/mol×K 801.41 Joback Calculated Property
Cp,gas 402.82 J/mol×K 847.27 Joback Calculated Property
Cp,gas 412.96 J/mol×K 893.14 Joback Calculated Property
Cp,gas 421.66 J/mol×K 939.01 Joback Calculated Property

Similar Compounds

1,3,5-Cycloheptatriene-7-(2,4,6-cycloheptatrien-1-ylidene)-. 2,4-Cyclohexadien-1-one,6-methylene-. 1,3-Cyclopentadiene, 5-(1-methylethylidene)-. 3,4,7,7-tetramethylcyclohepta-1,3,5-triene. 3,5-Heptadienal, 2-ethylidene-6-methyl-. Heptafulvene. 12,12-Dimethyl-11-methylenebicyclo[4.4.1]undeca-1,3,5,7,9-pentaene. 4-methyl-1,2-benzoquinone. p-Benzoquinone. 1,3-Cyclopentadiene, 5-(1-methylpropylidene)-. Pentalene. 2,4,6-Octatriene, 2,6-dimethyl-, (E,Z)-. (4Z,6z)-2,6-dimethyl-2,4,6-octatriene. 2,6-Dimethyl-octa-2,4,6-triene, cis. trans-Alloocimene.

Find more compounds similar to 2,5-Cyclohexadien-1-one, 4-(4-oxo-2,5-cyclohexadien-1-ylidene)-.

Sources

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