Chemical Properties of 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 2«beta»-hydroxy-1,4a-dimethyl-8-methylene-, dimethyl ester (CAS 4968-37-0)

4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 2«beta»-hydroxy-1,4a-dimethyl-8-methylene-, dimethyl ester

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InChI
InChI=1S/C22H32O5/c1-12-10-22-11-13(12)6-7-14(22)20(2)9-8-15(23)21(3,19(25)27-5)17(20)16(22)18(24)26-4/h13-17,23H,1,6-11H2,2-5H3
InChI Key
DPQAHZLQZRYRNU-UHFFFAOYSA-N
Formula
C22H32O5
SMILES
C=C1CC23CC1CCC2C1(C)CCC(O)C(C)(C(=O)OC)C1C3C(=O)OC
Molecular Weight1
376.49
CAS
4968-37-0
Other Names
  • 2«beta»-OH GA12 methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -257.83 kJ/mol Joback Calculated Property
Δfgas -817.92 kJ/mol Joback Calculated Property
Δfus 32.87 kJ/mol Joback Calculated Property
Δvap 95.19 kJ/mol Joback Calculated Property
logPoct/wat 3.11 Crippen Calculated Property
Pc 1563.52 kPa Joback Calculated Property
Tboil 968.49 K Joback Calculated Property
Tc 1195.84 K Joback Calculated Property
Tfus 672.46 K Joback Calculated Property
Vc 1.11 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1104.06 J/mol×K 968.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
-OH (alcohol) 1
=C< (ring) 1
>C< (ring) 3
-CH3 4
>CH- (ring) 5
=CH2 1
-CH2- (ring) 6

Similar Compounds

12-OH GA14 methyl ester TMS ether. GA14, MeTMS. GA36 MeTMS. GA13, MeTMS. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester. GA24 methyl ester. [14C] GA24 methyl ester. GA24, Methylated. [14C4]GA24 methyl ester. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. 11.alpha.-OH GA14, MeTMS. GA25, Me. [14C] GA25 methyl ester. [14C1]GA25 methyl ester. endo-GA37, methyl ester TMS.

Find more compounds similar to 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 2«beta»-hydroxy-1,4a-dimethyl-8-methylene-, dimethyl ester.

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