Chemical Properties of trans-Bicyclo[3.3.0]-octan-2-one

trans-Bicyclo[3.3.0]-octan-2-one

InChI
InChI=1S/C8H12O/c9-8-5-4-6-2-1-3-7(6)8/h6-7H,1-5H2/t6-,7+/m0/s1
InChI Key
NZTVVUIIJPWANB-RQJHMYQMSA-N
Formula
C8H12O
SMILES
O=C1CC[C@@H]2CCC[C@@H]12
Molecular Weight1
124.18
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Physical Properties

Property Value Unit Source
ΔcH°liquid -4602.80 ± 4.60 kJ/mol NIST
ΔfH°gas -207.00 ± 5.40 kJ/mol NIST
ΔfH°liquid -260.00 ± 4.60 kJ/mol NIST
ΔfusH° 8.06 kJ/mol Joback Calculated Property
ΔvapH° 54.00 ± 2.00 kJ/mol NIST
IE 9.05 eV Relay (1.0) Calculated Property
logPoct/wat 1.766 Crippen Calculated Property
McVol 103.430 ml/mol McGowan Calculated Property
Tc 762.50 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [232.73; 321.98] J/mol×K [472.28; 702.14] Show Hide
Cp,gas 232.73 J/mol×K 472.28 Joback Calculated Property
Cp,gas 250.02 J/mol×K 510.59 Joback Calculated Property
Cp,gas 266.30 J/mol×K 548.90 Joback Calculated Property
Cp,gas 281.60 J/mol×K 587.21 Joback Calculated Property
Cp,gas 295.95 J/mol×K 625.52 Joback Calculated Property
Cp,gas 309.40 J/mol×K 663.83 Joback Calculated Property
Cp,gas 321.98 J/mol×K 702.14 Joback Calculated Property

Similar Compounds

cis-Bicyclo[3.3.0]-octan-2-one. 1H-Inden-1-one, octahydro-, cis-. 1H-Inden-1-one, octahydro-, trans-. 1H-Inden-1-one, octahydro-. [1,1'-Bicyclopentyl]-2-one. exo-Tricyclo[6,2,1,0(2,6)]decan-8-one. endo-Tricyclo[6,2,1,0(2,6)]decan-8-one. TRICYCLO[5.2.1.0(2,6)]DECAN-8-ONE. 1-Decalone (cis-trans). 1(2H)-Naphthalenone, octahydro-, trans-. [1,1'-Bicyclohexyl]-2-one. 2-hexylcyclohexan-1-one. Cyclopentanone, 2-(1-methylpropyl)-. 1,4:5,8-Dimethanonaphthalen-9-one, (1α,4α,4aα,5β,8β,8aα)-. (Z)-8-Methyl-1-hydrindanone.

Find more compounds similar to trans-Bicyclo[3.3.0]-octan-2-one.

Sources

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