Chemical Properties of methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate (CAS 18444-89-8)

methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate

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InChI
InChI=1S/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3
InChI Key
DZVKVIGAEDEAIN-UHFFFAOYSA-N
Formula
C16H24O2
SMILES
C=C1C2CCC(C(=O)OC)C23CCC(C3)C1(C)C
Molecular Weight1
248.36
CAS
18444-89-8
Other Names
  • Methyl ziza-6(13)-en-12-oate
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Physical Properties

Property Value Unit Source
Δf 34.65 kJ/mol Joback Calculated Property
Δfgas -338.25 kJ/mol Joback Calculated Property
Δfus 18.57 kJ/mol Joback Calculated Property
Δvap 57.69 kJ/mol Joback Calculated Property
log10WS -3.71 Crippen Calculated Property
logPoct/wat 3.568 Crippen Calculated Property
McVol 206.860 ml/mol McGowan Calculated Property
Pc 2019.95 kPa Joback Calculated Property
Inp [1696.00; 1738.70]   Show Hide
Inp 1738.70 NIST
Inp 1696.00 NIST
Inp 1696.00 NIST
Tboil 660.83 K Joback Calculated Property
Tc 885.02 K Joback Calculated Property
Tfus 442.02 K Joback Calculated Property
Vc 0.788 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [612.62; 729.26] J/mol×K [660.83; 885.02] Show Hide
Cp,gas 612.62 J/mol×K 660.83 Joback Calculated Property
Cp,gas 633.51 J/mol×K 698.19 Joback Calculated Property
Cp,gas 653.46 J/mol×K 735.56 Joback Calculated Property
Cp,gas 672.74 J/mol×K 772.92 Joback Calculated Property
Cp,gas 691.62 J/mol×K 810.29 Joback Calculated Property
Cp,gas 710.37 J/mol×K 847.65 Joback Calculated Property
Cp,gas 729.26 J/mol×K 885.02 Joback Calculated Property

Similar Compounds

Methyl 2-epi-ziza-6(13)-en-12-oate. [14C] GA25 methyl ester. GA25, Me. [14C1]GA25 methyl ester. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. Methyl-«gamma»-Campholytate. Khusimyl acid. (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid. GA12 aldehyde, Me-TMS. [14C] GA24 methyl ester. GA24 methyl ester. GA24, Methylated. [14C4]GA24 methyl ester. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester. Prezizanoic acid.

Find more compounds similar to methyl [3S-(3«alpha»,3a«alpha»,6«alpha»,8a«alpha»)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate.

Sources

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