Chemical Properties of 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»)]- (CAS 3582-25-0)

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»)]-

InChI
InChI=1S/C21H34O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h17H,6-14H2,1-5H3
InChI Key
LZUSHGHGVLPXFI-UHFFFAOYSA-N
Formula
C21H34O2
SMILES
CCC1(C)CCC2=C(CCC3C(C)(C(=O)OC)CCCC23C)C1
Molecular Weight1
318.49
CAS
3582-25-0
Other Names
  • Podocarp-8-en-15-oic acid, 13«beta»-ethyl-13-methyl-, methyl ester
  • Methyl 8-pimaren-18-oate
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Physical Properties

Property Value Unit Source
ΔfusH° 19.46 kJ/mol Joback Calculated Property
logPoct/wat 5.663 Crippen Calculated Property
McVol 277.310 ml/mol McGowan Calculated Property
Inp [2266.00; 2266.00]   Show Hide
Inp 2266.00 NIST
Inp 2266.00 NIST
Tfus 359.43 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [909.00; 1079.16] J/mol×K [802.91; 1036.25] Show Hide
Cp,gas 909.00 J/mol×K 802.91 Joback Calculated Property
Cp,gas 935.45 J/mol×K 841.80 Joback Calculated Property
Cp,gas 962.13 J/mol×K 880.69 Joback Calculated Property
Cp,gas 989.43 J/mol×K 919.58 Joback Calculated Property
Cp,gas 1017.77 J/mol×K 958.47 Joback Calculated Property
Cp,gas 1047.55 J/mol×K 997.36 Joback Calculated Property
Cp,gas 1079.16 J/mol×K 1036.25 Joback Calculated Property

Similar Compounds

1-Phenanthrenecarboxylic acid, 7-ethenyl-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»)]-. Methyl 8,15-Isopimaradien-18-oate. Methyl abiet-7-en-18-oate. 13ALPHA-DELTA(8)-DIHYDROABIETIC ACID. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,8a«beta»,10a«alpha»)]-. 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,5,6,7,8,10,10a-dodecahydro-1,4a-7-trimethyl-, methyl ester. Methyl 7,15-Isopimaradien-18-oate. Methyl palustrate. Methyl 8,13-Abietadien-18-oate. 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. (S)-Ethyl 3-methyl-5-((4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)pentanoate. Methyl 8(14),13(15)-Abietadien-18-oate.

Find more compounds similar to 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»)]-.

Sources

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