Chemical Properties of .beta.-Ionyl acetate (CAS 22030-19-9)

.beta.-Ionyl acetate

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InChI
InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+
InChI Key
WODKSVNXBYBTQC-CMDGGOBGSA-N
Formula
C15H24O2
SMILES
CC(=O)OC(C)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
236.35
CAS
22030-19-9
Other Names
  • 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propen-1-yl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -51.06 kJ/mol Joback Calculated Property
Δfgas -381.39 kJ/mol Joback Calculated Property
Δfus 20.05 kJ/mol Joback Calculated Property
Δvap 58.60 kJ/mol Joback Calculated Property
logPoct/wat 4.021 Crippen Calculated Property
Pc 1896.95 kPa Joback Calculated Property
Tboil 651.52 K Joback Calculated Property
Tc 865.00 K Joback Calculated Property
Tfus 367.97 K Joback Calculated Property
Vc 0.790 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 568.90 J/mol×K 651.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=C< (ring) 2
=CH- 2
>C< (ring) 1
-CH3 5
-CH2- (ring) 3

Similar Compounds

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Retinol, acetate. Methyl-«beta»-(E)-ionyl angelate. Ionyl tiglate, methyl-«beta»-(E)-. Retinyl butanoate. 4-hydroxy-«beta»-ionol. 4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol. 3-Oxo-«beta»-ionol. Retinyl hexanoate. cis-3-Oxo-«alpha»-ionol. Retinoic acid, methyl ester. Retinyl dodecanoate. Retinyl octanoate. Retinol, hexadecanoate, 11-cis-. Retinyl decanoate.

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