Chemical Properties of 1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]- (CAS 15798-13-7)

1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]-

InChI
InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+
InChI Key
WYJKGKPQXWDIQP-OQLLNIDSSA-N
Formula
C21H32O2
SMILES
C=CC(C)=CCC1C(=C)CCC2C(C)(C(=O)OC)CCCC12C
Molecular Weight1
316.48
CAS
15798-13-7
Other Names
  • Labda-8(20),12,14-trien-19-oic acid, methyl ester, (E)-
  • Methyl communate
  • Methyl trans-communate
  • Methyl 8(17), E-12,14-labdatrien-19-oate
  • Methyl ester of trans-communic acid
  • (E)-Methyl communate
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Physical Properties

Property Value Unit Source
Δfus 26.80 kJ/mol Joback Calculated Property
logPoct/wat 5.461 Crippen Calculated Property
McVol 279.570 ml/mol McGowan Calculated Property
Inp [2234.00; 2256.00]   Show Hide
Inp 2256.00 NIST
Inp 2234.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [874.20; 1012.76] J/mol×K [777.75; 998.78] Show Hide
Cp,gas 874.20 J/mol×K 777.75 Joback Calculated Property
Cp,gas 897.71 J/mol×K 814.59 Joback Calculated Property
Cp,gas 920.73 J/mol×K 851.43 Joback Calculated Property
Cp,gas 943.49 J/mol×K 888.26 Joback Calculated Property
Cp,gas 966.25 J/mol×K 925.10 Joback Calculated Property
Cp,gas 989.25 J/mol×K 961.94 Joback Calculated Property
Cp,gas 1012.76 J/mol×K 998.78 Joback Calculated Property

Similar Compounds

(1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-((E)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalene-1-carboxylic acid. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl 8(14),12-Abietadien-18-oate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl abieta-7,13-dien-18-oate. Methyl abietate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl 8(14),13(15)-Abietadien-18-oate. 1-Phenanthrenecarboxylic acid,7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-7-trimethyl-, methyl ester. Methyl 7,15-Isopimaradien-18-oate. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«alpha»,10a«alpha»)]-. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«alpha»,10a«alpha»)]-. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]-. Methyl 13«beta»-Abieta-7,9(11)dien-18-oate. Methyl 8,13-Abietadien-18-oate.

Find more compounds similar to 1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]-.

Sources

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