Chemical Properties of (3S,3aS,6R)-7,7,8-Trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene-3-carboxylic acid (CAS 16202-79-2)

(3S,3aS,6R)-7,7,8-Trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene-3-carboxylic 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
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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
log10WS -3.77 Crippen Calculated Property
logPoct/wat 3.624 Crippen Calculated Property
McVol 192.770 ml/mol McGowan Calculated Property
Pc 2500.00 kPa Joback Calculated Property
Inp 1786.00 NIST
Tboil 722.34 K Joback Calculated Property
Tc 938.29 K Joback Calculated Property
Tfus 485.70 K Joback Calculated Property
Vc 0.737 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [592.90; 694.52] J/mol×K [722.34; 938.29] Show Hide
Cp,gas 592.90 J/mol×K 722.34 Joback Calculated Property
Cp,gas 609.76 J/mol×K 758.33 Joback Calculated Property
Cp,gas 626.31 J/mol×K 794.32 Joback Calculated Property
Cp,gas 642.80 J/mol×K 830.31 Joback Calculated Property
Cp,gas 659.49 J/mol×K 866.31 Joback Calculated Property
Cp,gas 676.65 J/mol×K 902.30 Joback Calculated Property
Cp,gas 694.52 J/mol×K 938.29 Joback Calculated Property

Similar Compounds

1,3,3-Trimethylcyclohex-1-ene-4-carboxylic acid. Ziza-5-en-12-ol. (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid. Khusimyl acid. 13Alpha-delta(8)-dihydroabietic acid. Prezizanoic acid. 2-epi-Prezizanoic acid. GA1 1,10-ene diacid, MeTMS. 17beta-Acetoxy-10-isoandrost-4-en-3-one. 5«beta»-Pregn-8-ene-3«alpha»,20«alpha»-diol. [14C] GA15-15,16-ene methyl ester. Pregn-4-ene-3,20-dione, 11-hydroxy-, (11«alpha»)-. carissone. Corticosterone. Olean-12-en-28-oic acid, 3-oxo-, methyl ester.

Find more compounds similar to (3S,3aS,6R)-7,7,8-Trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene-3-carboxylic acid.

Sources

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