Chemical Properties of (+)-12-Acetoxygymnomitr-3(15)-ene

(+)-12-Acetoxygymnomitr-3(15)-ene

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InChI
InChI=1S/C17H26O2/c1-12-6-9-15(3)10-14(12)17(11-19-13(2)18)8-5-7-16(15,17)4/h14H,1,5-11H2,2-4H3/t14-,15-,16-,17-/m1/s1
InChI Key
ZLCSCWKWOJMNOO-QBPKDAKJSA-N
Formula
C17H26O2
SMILES
C=C1CCC2(C)CC1C1(COC(C)=O)CCCC21C
Molecular Weight1
262.39
Sources

Physical Properties

Property Value Unit Source
Δf 45.29 kJ/mol Joback Calculated Property
Δfgas -323.31 kJ/mol Joback Calculated Property
Δfus 13.80 kJ/mol Joback Calculated Property
Δvap 59.07 kJ/mol Joback Calculated Property
logPoct/wat 4.10 Crippen Calculated Property
Pc 1987.66 kPa Joback Calculated Property
Tboil 688.62 K Joback Calculated Property
Tc 916.67 K Joback Calculated Property
Tfus 481.43 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 661.88 J/mol×K 688.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 3
=CH2 1
=C< (ring) 1
-CH2- 1
>C< (ring) 3
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 6

Similar Compounds

Cedren-13-ol acetate. Ziza-6(13)-en-12-yl acetate. Preziza-7(15)-en-12-yl acetate. Cedr-8-en-13-yl, acetate. Birkenyl acetate. Ziza-6(13)-en-12-yl formate. Funebr-3(15)-en-14-yl methyl ether. «beta»-Funebren-14-yl methyl ether. 12-nor-Ziza-6(13)-en-2-.alpha.-yl methyl ether. (+)-5.beta.-Acetoxygymnomitr-3(15)-ene. Epilupeol (20[29]-lupen-3A-ol) acetate. Moretenol (21-epi-22[29]hopenol) acetate. Lup-20(29)-en-3-ol, acetate, (3«beta»)-. 2-(2,2-dimethyl-6-methylenecyclohexyl)-ethyl acetate. Ziza-6(13)-en-12-yl methyl ether.

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