Chemical Properties of 10-epi-Italicen-12-yl acetate

10-epi-Italicen-12-yl acetate

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InChI
InChI=1S/C17H26O2/c1-11-7-8-17-12(2)5-6-14(17)16(4,15(17)9-11)10-19-13(3)18/h9,12,14-15H,5-8,10H2,1-4H3/t12-,14-,15-,16-,17-/m0/s1
InChI Key
WEGYMQPVQUNDTQ-SRQBIAJPSA-N
Formula
C17H26O2
SMILES
CC(=O)OCC1(C)C2C=C(C)CCC23C1CCC3C
Molecular Weight1
262.39
Sources

Physical Properties

Property Value Unit Source
Δf 10.32 kJ/mol Joback Calculated Property
Δfgas -396.82 kJ/mol Joback Calculated Property
Δfus 23.16 kJ/mol Joback Calculated Property
Δvap 60.71 kJ/mol Joback Calculated Property
logPoct/wat 3.96 Crippen Calculated Property
Pc 1859.51 kPa Joback Calculated Property
Tboil 688.69 K Joback Calculated Property
Tc 909.97 K Joback Calculated Property
Tfus 452.89 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 668.83 J/mol×K 688.69 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Italicen-12-yl acetate. Italicen-12-yl isobutyrate. 10-epi-Italicen-12-yl isobutyrate. Italicen-12-yl isovalerate. 10-epi-Italicen-12-yl isovalerate. 10-epi-Italicen-12-yl 2-methylbutyrate. Italicen-12-yl 2-methylbutyrate. Cedr-8-en-13-yl, acetate. 10-epi-Italicen-12-ol. Italicen-12-ol. 12-Hydroxy-«beta»-caryophyllene acetate. 15-Copaenol. Cedren-13-ol acetate. (+)-12-Acetoxygymnomitr-3(15)-ene. ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate.

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