Chemical Properties of Methyl abiet-7-en-18-oate

Methyl abiet-7-en-18-oate

InChI
InChI=1S/C21H34O2/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/h8,14-15,17-18H,6-7,9-13H2,1-5H3
InChI Key
YUBSLXLMZVQYAG-UHFFFAOYSA-N
Formula
C21H34O2
SMILES
COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)CC3=CCC12
Molecular Weight1
318.50
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Physical Properties

Property Value Unit Source
ΔfusH° 25.28 kJ/mol Joback Calculated Property
log10WS -5.41 Relay (1.0) Calculated Property
logPoct/wat 5.375 Crippen Calculated Property
McVol 277.310 ml/mol McGowan Calculated Property
Tfus 349.97 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 [364.96; 1053.13] 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-2.34830e+02
Coefficient B2.77000e+00
Coefficient C-2.33044e-03
Coefficient D8.48400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 364.96 J/mol×K 273.00 Calculated Property
Cp,gas 491.03 J/mol×K 353.78 Calculated Property
Cp,gas 598.43 J/mol×K 434.56 Calculated Property
Cp,gas 689.86 J/mol×K 515.33 Calculated Property
Cp,gas 767.99 J/mol×K 596.11 Calculated Property
Cp,gas 835.51 J/mol×K 676.89 Calculated Property
Cp,gas 895.10 J/mol×K 757.67 Calculated Property
Cp,gas 949.45 J/mol×K 838.44 Calculated Property
Cp,gas 1001.23 J/mol×K 919.22 Calculated Property
Cp,gas 1053.13 J/mol×K 1000.00 Calculated Property

Similar Compounds

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. 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,5,6,7,9,10,10a-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-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»)]-. Methyl abietate. Methyl abieta-7,13-dien-18-oate. Methyl 13«beta»-Abieta-7,9(11)dien-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. 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-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»]]-.

Find more compounds similar to Methyl abiet-7-en-18-oate.

Sources

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