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

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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
Δf 27.26 kJ/mol Joback Calculated Property
Δfgas -206.78 kJ/mol Joback Calculated Property
Δfus 10.94 kJ/mol Joback Calculated Property
Δvap 41.59 kJ/mol Joback Calculated Property
log10WS -2.21 Crippen Calculated Property
logPoct/wat 2.178 Crippen Calculated Property
McVol 127.310 ml/mol McGowan Calculated Property
Pc 3002.44 kPa Joback Calculated Property
Inp [1314.00; 1314.00]   Show Hide
Inp 1314.00 NIST
Inp 1314.00 NIST
I 1714.00 NIST
Tboil 513.48 K Joback Calculated Property
Tc 740.08 K Joback Calculated Property
Tfus 335.98 K Joback Calculated Property
Vc 0.491 m3/kmol Joback Calculated Property

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. epi-«alpha»-Bisabol-1-one. 1-Bisabolon. 6R,7R-Bisabolone. (6R,7R)-Bisabolone. 3-Methyl-6-(6-methylhept-5-en-2-yl)cyclohex-2-enone. Bisabolone (6S,7R). (6S,7R)-Bisabolone. 3-Carene, 2-acetyl-. Car-2-en-4-one. Isopiperitone. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-.

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

Sources

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