Chemical Properties of 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)- (CAS 74233-41-3)

2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)-

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InChI
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3
InChI Key
GSTVTHMQXVKNQF-UHFFFAOYSA-N
Formula
C13H20O2
SMILES
CC(=O)CCC1C(C)=CC(=O)CC1(C)C
Molecular Weight1
208.30
CAS
74233-41-3
Other Names
  • 3-Oxo-7,8-dihydro-«alpha»-ionone
  • 3,5,5-trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one
  • 3,5,5-Trimethyl-4-(3-oxobutyl)cyclohex-2-enone
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Physical Properties

Property Value Unit Source
Δf -161.35 kJ/mol Joback Calculated Property
Δfgas -466.40 kJ/mol Joback Calculated Property
Δfus 17.98 kJ/mol Joback Calculated Property
Δvap 55.45 kJ/mol Joback Calculated Property
log10WS -3.09 Crippen Calculated Property
logPoct/wat 2.917 Crippen Calculated Property
McVol 182.010 ml/mol McGowan Calculated Property
Pc 2204.15 kPa Joback Calculated Property
Inp [1681.30; 1699.00]   Show Hide
Inp 1681.30 NIST
Inp 1682.00 NIST
Inp 1699.00 NIST
Inp 1682.00 NIST
Inp 1681.30 NIST
Tboil 637.79 K Joback Calculated Property
Tc 859.23 K Joback Calculated Property
Tfus 394.74 K Joback Calculated Property
Vc 0.693 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [492.64; 590.72] J/mol×K [637.79; 859.23] Show Hide
Cp,gas 492.64 J/mol×K 637.79 Joback Calculated Property
Cp,gas 510.97 J/mol×K 674.70 Joback Calculated Property
Cp,gas 528.39 J/mol×K 711.60 Joback Calculated Property
Cp,gas 544.99 J/mol×K 748.51 Joback Calculated Property
Cp,gas 560.85 J/mol×K 785.42 Joback Calculated Property
Cp,gas 576.07 J/mol×K 822.33 Joback Calculated Property
Cp,gas 590.72 J/mol×K 859.23 Joback Calculated Property

Similar Compounds

(+)-(5S,10S)-3,4,4aR,7,8,8aR-Hexahydro-5,8a-dimethylnaphthalen-2(1H)-one. Solavetivone. Nootkatone. (-)-nootkatone. 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Stigmast-4-en-3-one. 4-Pregnen-3-one. «gamma»-Sitostenone. 4-Campestene-3-one. Cholest-4-en-3-one. Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-. D-Verbenone. Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-. 14-Nor-cadin-5-en-4-one isomer A. 14-Norcadin-5-en-4-one.

Find more compounds similar to 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)-.

Sources

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