Chemical Properties of ent-Kaurenoic acid, isomer, methyl ester

InChI

InChI=1S/C21H32O2/c1-14-12-21-11-8-16-19(2,17(21)7-6-15(14)13-21)9-5-10-20(16,3)18(22)23-4/h15-17H,1,5-13H2,2-4H3/t15-,16?,17?,19-,20-,21-/m1/s1

InChI Key

DWTRNJFPDXIFSY-LRCSWYQSSA-N

Formula

C21H32O2

SMILES

C=C1CC23CCC4C(C)(C(=O)OC)CCCC4(C)C2CCC1C3

Molecular Weight¹

316.48

• 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

Property	Value	Unit	Source
ω	0.4778		Relay (... Calculated Property
ΔfG°	107.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-466.92	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.16	kJ/mol	Joback Calculated Property
ΔvapH°	99.06	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-5.28		Relay (... Calculated Property
logPoct/wat	5.128		Crippen Calculated Property
McVol	266.450	ml/mol	McGowan Calculated Property
Pc	1625.91	kPa	Joback Calculated Property
Inp	[2245.00; 2246.00]
Inp	2246.00		NIST
Inp	2245.00		NIST
Inp	2246.00		NIST
Tboil	627.33	K	Relay (... Calculated Property
Tc	894.42	K	Relay (... Calculated Property
Tfus	379.29	K	Relay (... Calculated Property
Vc	0.945	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[890.86; 1064.01]	J/mol×K	[790.75; 1029.43]
Cp,gas	890.86	J/mol×K	790.75	Joback Calculated Property
Cp,gas	917.63	J/mol×K	830.53	Joback Calculated Property
Cp,gas	944.60	J/mol×K	870.31	Joback Calculated Property
Cp,gas	972.25	J/mol×K	910.09	Joback Calculated Property
Cp,gas	1001.05	J/mol×K	949.87	Joback Calculated Property
Cp,gas	1031.48	J/mol×K	989.65	Joback Calculated Property
Cp,gas	1064.01	J/mol×K	1029.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to ent-Kaurenoic acid, isomer, methyl ester.

Sources

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

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