Chemical Properties of (+)-Gymnomitr-3(15)-en-12-oic acid

(+)-Gymnomitr-3(15)-en-12-oic acid

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InChI
InChI=1S/C15H22O2/c1-10-5-8-13(2)9-11(10)15(12(16)17)7-4-6-14(13,15)3/h11H,1,4-9H2,2-3H3,(H,16,17)/t11?,13-,14-,15+/m0/s1
InChI Key
VDQVZUARIGBYPI-KVPGNWIISA-N
Formula
C15H22O2
SMILES
C=C1CCC2(C)CC1C1(C(=O)O)CCCC21C
Molecular Weight1
234.33
Sources

Physical Properties

Property Value Unit Source
Δf -3.37 kJ/mol Joback Calculated Property
Δfgas -302.04 kJ/mol Joback Calculated Property
Δfus 11.52 kJ/mol Joback Calculated Property
Δvap 68.89 kJ/mol Joback Calculated Property
logPoct/wat 3.624 Crippen Calculated Property
Pc 2651.56 kPa Joback Calculated Property
Tboil 712.62 K Joback Calculated Property
Tc 933.88 K Joback Calculated Property
Tfus 497.48 K Joback Calculated Property
Vc 0.733 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 588.87 J/mol×K 712.62 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(4«beta»)-kaur-16-en-18-oic acid. 2-epi-Prezizanoic acid. Prezizanoic acid. Khusimyl acid. (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid. Helifolen-12-oic acid (anti-syn-syn). Helifolen-12-oic acid (anti,anti,anti). Helifolen-12-oic acid (syn,syn,syn). Helifolen-12-oic acid (syn,anti,anti). GA12 aldehyde, Me-TMS. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. ent-Kaurenoic acid, isomer, methyl ester. Kaur-16-en-18-oic acid, methyl ester, (4«beta»)-. Kaurenic acid, Me-TMS. methyl (4«beta»)-kaur-16-en-18-oate.

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