Chemical Properties of (4«beta»)-kaur-16-en-18-oic acid

(4«beta»)-kaur-16-en-18-oic acid

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InChI
InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14?,15-,16?,18+,19?,20+/m1/s1
InChI Key
NIKHGUQULKYIGE-UKIWHTGDSA-N
Formula
C20H30O2
SMILES
C=C1CC23CC1CCC2C1(C)CCCC(C)(C(=O)O)C1CC3
Molecular Weight1
302.45
Sources

Physical Properties

Property Value Unit Source
Δf 67.57 kJ/mol Joback Calculated Property
Δfgas -365.10 kJ/mol Joback Calculated Property
Δfus 19.47 kJ/mol Joback Calculated Property
Δvap 79.97 kJ/mol Joback Calculated Property
logPoct/wat 5.040 Crippen Calculated Property
Pc 1932.13 kPa Joback Calculated Property
Tboil 837.63 K Joback Calculated Property
Tc 1066.59 K Joback Calculated Property
Tfus 560.49 K Joback Calculated Property
Vc 0.953 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 874.87 J/mol×K 837.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
-OH (alcohol) 1
=C< (ring) 1
>C< (ring) 3
-CH3 2
>CH- (ring) 3
=CH2 1
-CH2- (ring) 9

Similar Compounds

ent-Kaurenoic acid, isomer, methyl ester. Kaur-16-en-18-oic acid, methyl ester, (4«beta»)-. methyl (4«beta»)-kaur-16-en-18-oate. Kaurenic acid, Me-TMS. (+)-Gymnomitr-3(15)-en-12-oic acid. Prezizanoic acid. 2-epi-Prezizanoic acid. GA12 aldehyde, Me-TMS. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. GA24, Methylated. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester. [14C4]GA24 methyl ester. GA24 methyl ester. [14C] GA24 methyl ester. GA25, Me.

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