Chemical Properties of 4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one (CAS 81800-50-2)

4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one

InChI
InChI=1S/C10H14O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h5,7,9H,4H2,1-3H3
InChI Key
WDILKLCBAXJFIA-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC1=CC(=O)C2C(C1)C2(C)C
Molecular Weight1
150.22
CAS
81800-50-2
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Physical Properties

Property Value Unit Source
ΔfH°gas -125.20 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 10.94 kJ/mol Joback Calculated Property
ΔvapH° 61.92 kJ/mol Relay (1.0) Calculated Property
IE 9.31 eV Relay (1.0) Calculated Property
logPoct/wat 2.178 Crippen Calculated Property
McVol 127.310 ml/mol McGowan Calculated Property
Inp 1314.00 NIST
I 1714.00 NIST
Tboil 482.59 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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 [307.39; 393.70] J/mol×K [513.48; 740.08] Show Hide
Cp,gas 307.39 J/mol×K 513.48 Joback Calculated Property
Cp,gas 324.08 J/mol×K 551.25 Joback Calculated Property
Cp,gas 339.67 J/mol×K 589.01 Joback Calculated Property
Cp,gas 354.29 J/mol×K 626.78 Joback Calculated Property
Cp,gas 368.08 J/mol×K 664.55 Joback Calculated Property
Cp,gas 381.17 J/mol×K 702.31 Joback Calculated Property
Cp,gas 393.70 J/mol×K 740.08 Joback Calculated Property

Similar Compounds

(-)-Car-3-en-2-one. 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)-. 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione. «alpha»-bisabol-1-one. 6R,7R-Bisabolone. 3-Methyl-6-(6-methylhept-5-en-2-yl)cyclohex-2-enone. Bisabolone (6S,7R). (6S,7R)-Bisabolone. (6R,7R)-Bisabolone. epi-«alpha»-Bisabol-1-one. 1-Bisabolon. 3-Carene, 2-acetyl-. Car-2-en-4-one. Isopiperitone. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-.

Find more compounds similar to 4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one.

Sources

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