Chemical Properties of (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid (CAS 16203-25-1)

(3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid

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InChI Key
Molecular Weight1
Other Names
  • 1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
  • 1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-
  • 1H-3a«alpha»,6-Methanoazulene-3-carboxylic acid, 2,3«beta»,4,5,6«beta»,7,8,8a«alpha»-octahydro-7,7-dimethyl-8-methylene-
  • Khusenic acid
  • Vetivenic acid
  • Zizanoic acid
  • (+)-Zizanoic acid
  • [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylic acid
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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
log10WS -3.53 Crippen Calculated Property
logPoct/wat 3.480 Crippen Calculated Property
McVol 192.770 ml/mol McGowan Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Inp [1803.00; 1871.00]   Show Hide
Inp 1837.00 NIST
Inp 1811.00 NIST
Inp 1871.00 NIST
Inp 1812.00 NIST
Inp 1823.00 NIST
Inp 1803.00 NIST
Inp 1860.00 NIST
Inp 1837.00 NIST
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/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [596.02; 698.35] J/mol×K [707.71; 921.86] Show Hide
Cp,gas 596.02 J/mol×K 707.71 Joback Calculated Property
Cp,gas 613.45 J/mol×K 743.40 Joback Calculated Property
Cp,gas 630.39 J/mol×K 779.09 Joback Calculated Property
Cp,gas 647.10 J/mol×K 814.78 Joback Calculated Property
Cp,gas 663.83 J/mol×K 850.48 Joback Calculated Property
Cp,gas 680.83 J/mol×K 886.17 Joback Calculated Property
Cp,gas 698.35 J/mol×K 921.86 Joback Calculated Property

Similar Compounds

Khusimyl acid. 2-epi-Prezizanoic acid. Prezizanoic acid. Methyl 2-epi-ziza-6(13)-en-12-oate. methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate. (4«beta»)-kaur-16-en-18-oic acid. (3S,3aS,6R)-7,7,8-Trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene-3-carboxylic acid. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. GA25, Me. [14C1]GA25 methyl ester. [14C] GA25 methyl ester. Khusimol. Valerianol (Khusunol). ((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol. (+)-Gymnomitr-3(15)-en-12-oic acid.

Find more compounds similar to (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid.


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