Chemical Properties of Methyl 2-epi-ziza-6(13)-en-12-oate

Methyl 2-epi-ziza-6(13)-en-12-oate

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InChI
InChI=1S/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12?,13-,16-/m1/s1
InChI Key
DZVKVIGAEDEAIN-JRIQMUAPSA-N
Formula
C16H24O2
SMILES
C=C1C2CCC(C(=O)OC)C23CCC(C3)C1(C)C
Molecular Weight1
248.36
Sources

Physical Properties

Property Value Unit Source
Δf 34.65 kJ/mol Joback Calculated Property
Δfgas -338.25 kJ/mol Joback Calculated Property
Δfus 18.57 kJ/mol Joback Calculated Property
Δvap 57.69 kJ/mol Joback Calculated Property
logPoct/wat 3.57 Crippen Calculated Property
Pc 2019.95 kPa Joback Calculated Property
Tboil 660.83 K Joback Calculated Property
Tc 885.02 K Joback Calculated Property
Tfus 442.02 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 612.62 J/mol×K 660.83 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate. Khusimyl acid. (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid. GA12 aldehyde, Me-TMS. Prezizanoic acid. 2-epi-Prezizanoic acid. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. [14C] GA24 methyl ester. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester. GA24 methyl ester. [14C4]GA24 methyl ester. GA24, Methylated. [14C1]GA25 methyl ester. GA25, Me. [14C] GA25 methyl ester.

Find more compounds similar to Methyl 2-epi-ziza-6(13)-en-12-oate.

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