Chemical Properties of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one (CAS 79-89-0)

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one

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InChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+
InChI Key
NSSHGPBKKVJJMM-PKNBQFBNSA-N
Formula
C14H22O
SMILES
CC(=O)C(C)=CC1=C(C)CCCC1(C)C
Molecular Weight1
206.32
CAS
79-89-0
Other Names
  • 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

Physical Properties

Property Value Unit Source
Δf 39.41 kJ/mol Joback Calculated Property
Δfgas -233.04 kJ/mol Joback Calculated Property
Δfus 18.49 kJ/mol Joback Calculated Property
Δvap 54.44 kJ/mol Joback Calculated Property
log10WS -4.32 Crippen Calculated Property
logPoct/wat 4.048 Crippen Calculated Property
McVol 190.230 ml/mol McGowan Calculated Property
Pc 2092.66 kPa Joback Calculated Property
Tboil 606.54 K Joback Calculated Property
Tc 825.60 K Joback Calculated Property
Tfus 335.51 K Joback Calculated Property
Vc 0.724 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [487.69; 586.80] J/mol×K [606.54; 825.60] Show Hide
Cp,gas 487.69 J/mol×K 606.54 Joback Calculated Property
Cp,gas 506.36 J/mol×K 643.05 Joback Calculated Property
Cp,gas 523.99 J/mol×K 679.56 Joback Calculated Property
Cp,gas 540.71 J/mol×K 716.07 Joback Calculated Property
Cp,gas 556.67 J/mol×K 752.58 Joback Calculated Property
Cp,gas 571.99 J/mol×K 789.09 Joback Calculated Property
Cp,gas 586.80 J/mol×K 825.60 Joback Calculated Property

Similar Compounds

13-nor-Eudesma-4,6-dien-11-one. trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. «delta»-Selinene. «delta»-Selinene. Porosa-4,6-dien-7-one. Porosadien-7-one. Allyl ionone. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-. Eudesma-4,6-dien-3-one («beta»-cyperone). «alpha»-Isoamylionone. Retinal, 9-cis-. Retinal.

Find more compounds similar to 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one.

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