Chemical Properties of 2,5,6-Trimethyl-2-cyclohexen-1-one (CAS 20030-30-2)

2,5,6-Trimethyl-2-cyclohexen-1-one

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InChI
InChI=1S/C9H14O/c1-6-4-5-7(2)9(10)8(6)3/h5-6,8H,4H2,1-3H3
InChI Key
QAQCUBLNHBKTRM-UHFFFAOYSA-N
Formula
C9H14O
SMILES
CC1=CCC(C)C(C)C1=O
Molecular Weight1
138.21
CAS
20030-30-2
Other Names
  • 2,5,6-Trimethyl-2-cyclohexen-1-one
Sources

Physical Properties

Property Value Unit Source
Δf -60.62 kJ/mol Joback Calculated Property
Δfgas -286.50 kJ/mol Joback Calculated Property
Δfus 12.31 kJ/mol Joback Calculated Property
Δvap 40.95 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 2909.25 kPa Joback Calculated Property
Tboil 492.16 K Joback Calculated Property
Tc 712.40 K Joback Calculated Property
Tfus 275.83 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 276.29 J/mol×K 492.16 Joback Calculated Property
Cp,liquid 258.40 J/mol×K 298.15 NIST
Cp,liquid 258.10 J/mol×K 298.15 NIST
ΔvapH 45.50 ± 0.30 kJ/mol 424.5 NIST

Molecular Descriptors

Joback and Reid Groups
-CH3 3
=CH- (ring) 1
=C< (ring) 1
>C=O (ring) 1
>CH- (ring) 2
-CH2- (ring) 1

Similar Compounds

2,5,6,6-Tetramethylcyclohexe-2-en-1-one. 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-. p-Menth-6-en-2-one. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-. Isopiperitone. 2-Cyclohexen-1-one, 2,6,6-trimethyl-. 6R,7R-Bisabolone. 3-Methyl-6-(6-methylhept-5-en-2-yl)cyclohex-2-enone. (6R,7R)-Bisabolone. (6S,7R)-Bisabolone. 1-Bisabolon. «alpha»-bisabol-1-one. Bisabolone (6S,7R). epi-«alpha»-Bisabol-1-one.

Find more compounds similar to 2,5,6-Trimethyl-2-cyclohexen-1-one.

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