Chemical Properties of 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,8a«beta»,10a«alpha»)]- (CAS 19941-28-7)

InChI

InChI=1S/C21H36O2/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/h14-18H,6-13H2,1-5H3

InChI Key

FJHHBOWEISXQJX-UHFFFAOYSA-N

Formula

C21H36O2

SMILES

COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)CC3CCC12

Molecular Weight¹

320.51

CAS

19941-28-7

Other Names

• Podocarpan-15-oic acid, 13«beta»-isopropyl-, methyl ester
• Methyl tetrahydroabietate
• methyl [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,8a«beta»,10a«alpha»)]-tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[935.20; 1088.33]	J/mol×K	[765.90; 991.35]
Cp,gas	935.20	J/mol×K	765.90	Joback Calculated Property
Cp,gas	962.15	J/mol×K	803.48	Joback Calculated Property
Cp,gas	988.17	J/mol×K	841.05	Joback Calculated Property
Cp,gas	1013.52	J/mol×K	878.63	Joback Calculated Property
Cp,gas	1038.49	J/mol×K	916.20	Joback Calculated Property
Cp,gas	1063.34	J/mol×K	953.78	Joback Calculated Property
Cp,gas	1088.33	J/mol×K	991.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,8a«beta»,10a«alpha»)]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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