Chemical Properties of 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»)]- (CAS 18492-76-7)

InChI

InChI=1S/C21H28O2/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/h7-10,13-14,18H,6,11-12H2,1-5H3

InChI Key

GNEXBBYESLSHNT-UHFFFAOYSA-N

Formula

C21H28O2

SMILES

COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C=CC12

Molecular Weight¹

312.45

CAS

18492-76-7

Other Names

• Podocarpa-6,8,11,13-tetraen-15-oic acid, 13-isopropyl-, methyl ester
• Methyl 6-dehydrodehydroabietate
• Methyl 6,8,11,13-abietatetraen-18-oate

• 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	[828.82; 967.90]	J/mol×K	[809.36; 1045.35]
Cp,gas	828.82	J/mol×K	809.36	Joback Calculated Property
Cp,gas	851.28	J/mol×K	848.69	Joback Calculated Property
Cp,gas	873.61	J/mol×K	888.02	Joback Calculated Property
Cp,gas	896.12	J/mol×K	927.36	Joback Calculated Property
Cp,gas	919.13	J/mol×K	966.69	Joback Calculated Property
Cp,gas	942.95	J/mol×K	1006.02	Joback Calculated Property
Cp,gas	967.90	J/mol×K	1045.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 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»)]-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.