Chemical Properties of Isozizanoic acid (CAS 16202-79-2)

Isozizanoic acid

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InChI
InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10,12H,4-8H2,1-3H3,(H,16,17)
InChI Key
DHPMFKAJSXGYDJ-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
CC1=C2CCC(C(=O)O)C23CCC(C3)C1(C)C
Molecular Weight1
234.33
CAS
16202-79-2
Other Names
  • 1H-3a,6-Methanoazulene-3-carboxylic acid, 2,3,4,5,6,7-hexahydro-7,7,8-trimethyl-, (3S,3aS,6R)-
  • 1H-3a,6-Methanoazulene-3-carboxylic acid, 2,3,4,5,6,7-hexahydro-7,7,8-trimethyl-, [3S-(3«alpha»,3a«alpha»,6«alpha»)]-
  • 1H-3a«alpha»,6-Methanoazulene-3-carboxylic acid, 2,3«beta»,4,5,6«beta»,7-hexahydro-7,7,8-trimethyl-
  • Isokhusenic acid
  • Isozizanoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -40.26 kJ/mol Joback Calculated Property
Δfgas -366.68 kJ/mol Joback Calculated Property
Δfus 19.42 kJ/mol Joback Calculated Property
Δvap 71.50 kJ/mol Joback Calculated Property
logPoct/wat 3.62 Crippen Calculated Property
Pc 2500.00 kPa Joback Calculated Property
Tboil 722.34 K Joback Calculated Property
Tc 938.29 K Joback Calculated Property
Tfus 485.70 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 592.90 J/mol×K 722.34 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ziza-5-en-12-ol. GA1 1,10-ene diacid, MeTMS. 1,3,3-Trimethylcyclohex-1-ene-4-carboxylic acid. 13Alpha-delta(8)-dihydroabietic acid. Androst-5-ene-17-carboxylic acid, 3beta-hydroxy-, methyl ester. Olean-12-en-28-oic acid, 3-oxo-, methyl ester. Helifolen-12-oic acid (syn,syn,syn). Helifolen-12-oic acid (syn,anti,anti). Helifolen-12-oic acid (anti,anti,anti). Helifolen-12-oic acid (anti-syn-syn). 17beta-Acetoxy-10-isoandrost-4-en-3-one. Methyl helifolen-15-oate. [14C] GA15-15,16-ene methyl ester. 8-Dehydro DHEA. 1-Phenanthrenecarboxylic acid, 7-ethyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,7«beta»,10a«alpha»)]-.

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