Chemical Properties of 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»)]- (CAS 3513-69-7)

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»)]-

InChI
InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,13-14,17-18H,6,8-12H2,1-5H3/t17?,18?,20?,21-/m0/s1
InChI Key
SGPKKYHABMKBPF-QDDLRWIDSA-N
Formula
C21H32O2
SMILES
COC(=O)C1(C)CCCC2(C)C3CC=C(C(C)C)C=C3CCC12
Molecular Weight1
316.48
CAS
3513-69-7
Other Names
  • Podocarpa-8(14),12-dien-15-oic acid, 13-isopropyl-, methyl ester
  • Levopimaric acid methyl ester
  • Methyl levopimarate
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Physical Properties

Property Value Unit Source
ΔfusH° 25.04 kJ/mol Joback Calculated Property
log10WS -5.27 Relay (1.0) Calculated Property
logPoct/wat 5.295 Crippen Calculated Property
McVol 273.010 ml/mol McGowan Calculated Property
Inp [2288.00; 2307.00]   Show Hide
Inp 2307.00 NIST
Inp 2288.00 NIST
Tfus 342.61 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 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 [877.91; 1020.99] J/mol×K [783.52; 1013.83] Show Hide
Cp,gas 877.91 J/mol×K 783.52 Joback Calculated Property
Cp,gas 902.23 J/mol×K 821.90 Joback Calculated Property
Cp,gas 925.97 J/mol×K 860.29 Joback Calculated Property
Cp,gas 949.43 J/mol×K 898.67 Joback Calculated Property
Cp,gas 972.89 J/mol×K 937.06 Joback Calculated Property
Cp,gas 996.64 J/mol×K 975.44 Joback Calculated Property
Cp,gas 1020.99 J/mol×K 1013.83 Joback Calculated Property

Similar Compounds

Methyl 8(14),12-Abietadien-18-oate. Methyl abietate. Methyl abieta-7,13-dien-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»)]-. Abietic acid. Methyl 13«beta»-Abieta-7,9(11)dien-18-oate. 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»]]-. Methyl palustrate. Methyl 8,13-Abietadien-18-oate. 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. ABIETIC ACID, TRIMETHYLSILYL ESTER. 1-Phenanthrenecarboxylic acid,7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-7-trimethyl-, methyl ester. 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»)]-. Methyl 7,15-Isopimaradien-18-oate.

Find more compounds similar to 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»)]-.

Sources

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