Chemical Properties of 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 22029-76-1)

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

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InChI
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+
InChI Key
CNOPDZWOYFOHGN-BQYQJAHWSA-N
Formula
C13H22O
SMILES
CC1=C(C=CC(C)O)C(C)(C)CCC1
Molecular Weight1
194.31
CAS
22029-76-1
Other Names
  • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
  • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-ol
  • But-3-en-2-ol, 4-(2,6,6-trimethyl-1-cyclohexenyl)-
  • «beta» Ionol
Sources

Physical Properties

Property Value Unit Source
Δf 29.20 kJ/mol Joback Calculated Property
Δfgas -247.54 kJ/mol Joback Calculated Property
Δfus 16.17 kJ/mol Joback Calculated Property
Δvap 61.67 kJ/mol Joback Calculated Property
logPoct/wat 3.450 Crippen Calculated Property
Pc 2361.07 kPa Joback Calculated Property
Tboil 621.65 K Joback Calculated Property
Tc 822.51 K Joback Calculated Property
Tfus 334.09 K Joback Calculated Property
Vc 0.673 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 478.42 J/mol×K 621.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-OH (alcohol) 1
=C< (ring) 2
=CH- 2
>C< (ring) 1
-CH3 4
-CH2- (ring) 3

Similar Compounds

.beta.-Ionyl acetate. Retinol. B-Ionene. 4-hydroxy-«beta»-ionol. 4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol. .beta.,.beta.-Carotene. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Cyclohexene, 2-ethenyl-1,3,3-trimethyl-. 3-hydroxy-«beta»-ionol. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. «beta»-Ionone isomer # 2. trans-«beta»-Ionone. 3-Oxo-«beta»-ionol. Retinal. Retinal, 9-cis-.

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