Chemical Properties of 15-Hydroxydehydroabietic acid, methyl ester (CAS 29461-23-2)

InChI

InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3

InChI Key

IGUDTNVZIOWVIV-UHFFFAOYSA-N

Formula

C21H30O3

SMILES

COC(=O)C1(C)CCCC2(C)c3ccc(C(C)(C)O)cc3CCC12

Molecular Weight¹

330.46

CAS

29461-23-2

Other Names

• Methyl 15-hydroxydehydroabietate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[929.19; 1079.26]	J/mol×K	[899.59; 1127.76]
Cp,gas	929.19	J/mol×K	899.59	Joback Calculated Property
Cp,gas	951.75	J/mol×K	937.62	Joback Calculated Property
Cp,gas	974.89	J/mol×K	975.65	Joback Calculated Property
Cp,gas	998.89	J/mol×K	1013.67	Joback Calculated Property
Cp,gas	1024.08	J/mol×K	1051.70	Joback Calculated Property
Cp,gas	1050.77	J/mol×K	1089.73	Joback Calculated Property
Cp,gas	1079.26	J/mol×K	1127.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 15-Hydroxydehydroabietic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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