Chemical Properties of Dehydroabietol ethyl benzoate

Dehydroabietol ethyl benzoate

InChI
InChI=1S/C28H36O2/c1-20(2)22-11-13-24-23(19-22)12-14-25-27(3,15-8-16-28(24,25)4)17-18-30-26(29)21-9-6-5-7-10-21/h5-7,9-11,13,19-20,25H,8,12,14-18H2,1-4H3
InChI Key
PXADAXYXIKCJHQ-UHFFFAOYSA-N
Formula
C28H36O2
SMILES
CC(C)c1ccc2c(c1)CCC1C(C)(CCOC(=O)c3ccccc3)CCCC21C
Molecular Weight1
404.59
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Physical Properties

Property Value Unit Source
ΔfusH° 36.97 kJ/mol Joback Calculated Property
logPoct/wat 7.067 Crippen Calculated Property
McVol 343.580 ml/mol McGowan Calculated Property
Inp [3230.30; 3230.30]   Show Hide
Inp 3230.30 NIST
Inp 3230.30 NIST
Tfus 354.44 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [443.82; 1213.74] 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-2.42818e+02
Coefficient B3.17808e+00
Coefficient C-2.69372e-03
Coefficient D9.72200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 443.82 J/mol×K 273.00 Calculated Property
Cp,gas 587.42 J/mol×K 353.78 Calculated Property
Cp,gas 709.34 J/mol×K 434.56 Calculated Property
Cp,gas 812.64 J/mol×K 515.33 Calculated Property
Cp,gas 900.40 J/mol×K 596.11 Calculated Property
Cp,gas 975.70 J/mol×K 676.89 Calculated Property
Cp,gas 1041.61 J/mol×K 757.67 Calculated Property
Cp,gas 1101.20 J/mol×K 838.44 Calculated Property
Cp,gas 1157.55 J/mol×K 919.22 Calculated Property
Cp,gas 1213.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dehydroabietol benzoate. 3-Ethoxycarbonyl-17-oxaestra-1,3,5(10)-trien-16-one. Dehydroabietic acid. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-. Methyl dehydroabietate. Methyl 8,11,13-Abietadien-18-oate. Dehydroabietol cinnamate. 4-Hydroxyoestrone (enol), TMS. Calacorene oxide. 16-Oxoestradiol, TMS. 15-Trimethylsilyloxydehydroabietic acid, trimethylsilyl ester. 15-Hydroxydehydroabietic acid, methyl ester. 4-epi-Dehydroabietinol acetate. Epidehydroabietol. 1-Phenanthrenemethanol, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-.

Find more compounds similar to Dehydroabietol ethyl benzoate.

Sources

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