Chemical Properties of 2-epi-Prezizanoic acid

2-epi-Prezizanoic acid

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InChI
InChI=1S/C15H22O2/c1-9-10-6-7-15(8-10)11(13(16)17)4-5-12(15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11+,12-,15+/m0/s1
InChI Key
ANQAQROTXVSMMN-OZTPJHRESA-N
Formula
C15H22O2
SMILES
C=C1C2CCC3(C2)C(C(=O)O)CCC3C1(C)C
Molecular Weight1
234.33
Sources

Physical Properties

Property Value Unit Source
Δf -5.59 kJ/mol Joback Calculated Property
Δfgas -337.62 kJ/mol Joback Calculated Property
Δfus 18.89 kJ/mol Joback Calculated Property
Δvap 69.73 kJ/mol Joback Calculated Property
logPoct/wat 3.480 Crippen Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Tboil 707.71 K Joback Calculated Property
Tc 921.86 K Joback Calculated Property
Tfus 469.34 K Joback Calculated Property
Vc 0.734 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 596.02 J/mol×K 707.71 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Prezizanoic acid. (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid. Khusimyl acid. 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. (+)-Gymnomitr-3(15)-en-12-oic acid. (4«beta»)-kaur-16-en-18-oic acid. GA12 aldehyde, Me-TMS. Khusimol. ((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol. Valerianol (Khusunol). 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. Zizanal. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester. GA24, Methylated.

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