Chemical Properties of GA12 aldehyde, Me-TMS

GA12 aldehyde, Me-TMS

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InChI
InChI=1S/C21H30O3/c1-13-10-21-11-14(13)6-7-15(21)20(3)9-5-8-19(2,12-22)17(20)16(21)18(23)24-4/h12,14-17H,1,5-11H2,2-4H3/t14?,15-,16+,17+,19-,20-,21-/m1/s1
InChI Key
LODKRMFZGMWBOF-KBWCDIBOSA-N
Formula
C21H30O3
SMILES
C=C1CC23CC1CCC2C1(C)CCCC(C)(C=O)C1C3C(=O)OC
Molecular Weight1
330.46
Sources

Physical Properties

Property Value Unit Source
Δf 12.68 kJ/mol Joback Calculated Property
Δfgas -465.49 kJ/mol Joback Calculated Property
Δfus 24.62 kJ/mol Joback Calculated Property
Δvap 74.16 kJ/mol Joback Calculated Property
logPoct/wat 4.163 Crippen Calculated Property
Pc 1647.09 kPa Joback Calculated Property
Tboil 830.47 K Joback Calculated Property
Tc 1064.00 K Joback Calculated Property
Tfus 574.45 K Joback Calculated Property
Vc 1.032 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 915.64 J/mol×K 830.47 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH2 1
=C< (ring) 1
O=CH- (aldehyde) 1
>C< (ring) 3
-CH3 3
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. GA24, Methylated. GA24 methyl ester. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester. [14C4]GA24 methyl ester. [14C] GA24 methyl ester. GA25, Me. [14C] GA25 methyl ester. [14C1]GA25 methyl ester. methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate. Methyl 2-epi-ziza-6(13)-en-12-oate. [14C] GA15, methyl ester. Gibbane-1,10-dicarboxylic acid, 4a-(hydroxymethyl)-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)-. [14C4]GA15 methyl ester TMS ether. Kaur-16-en-18-oic acid, methyl ester, (4«beta»)-.

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