Chemical Properties of Methyl 8,13-Abietadien-18-oate

Methyl 8,13-Abietadien-18-oate

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/h13-14,18H,6-12H2,1-5H3/t18-,20-,21-/m0/s1
InChI Key
MEQSJWRGVQAVJY-JBACZVJFSA-N
Formula
C21H32O2
SMILES
COC(=O)C1(C)CCCC2(C)C3=C(C=C(C(C)C)CC3)CCC12
Molecular Weight1
316.48
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Physical Properties

Property Value Unit Source
ΔfusH° 23.58 kJ/mol Joback Calculated Property
log10WS -5.02 Relay (1.0) Calculated Property
logPoct/wat 5.439 Crippen Calculated Property
McVol 273.010 ml/mol McGowan Calculated Property
Inp [2264.00; 2264.00]   Show Hide
Inp 2264.00 NIST
Inp 2264.00 NIST
Tfus 359.33 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [359.05; 1002.43] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.10330e+02
Coefficient B2.64800e+00
Coefficient C-2.29444e-03
Coefficient D8.59200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 359.05 J/mol×K 273.00 Calculated Property
Cp,gas 477.35 J/mol×K 353.78 Calculated Property
Cp,gas 577.60 J/mol×K 434.56 Calculated Property
Cp,gas 662.53 J/mol×K 515.33 Calculated Property
Cp,gas 734.85 J/mol×K 596.11 Calculated Property
Cp,gas 797.28 J/mol×K 676.89 Calculated Property
Cp,gas 852.53 J/mol×K 757.67 Calculated Property
Cp,gas 903.33 J/mol×K 838.44 Calculated Property
Cp,gas 952.39 J/mol×K 919.22 Calculated Property
Cp,gas 1002.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

Methyl palustrate. 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. Methyl abieta-7,13-dien-18-oate. Methyl abietate. Methyl 8(14),12-Abietadien-18-oate. 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 13«beta»-Abieta-7,9(11)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»)]-. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Abietic acid. 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»)]-. 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.

Find more compounds similar to Methyl 8,13-Abietadien-18-oate.

Sources

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