Chemical Properties of Olean-12-en-28-oic acid, 3-oxo-, methyl ester (CAS 1721-58-0)

InChI

InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3

InChI Key

PPMUFCXCVKVCSV-UHFFFAOYSA-N

Formula

C31H48O3

SMILES

COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2

Molecular Weight¹

468.71

CAS

1721-58-0

Other Names

• Methyl oleanonate
• Methyl olean-12-en-3-oxo-28-oate

• 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).
• 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
ΔfG°	29.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-688.40	kJ/mol	Joback Calculated Property
ΔfusH°	21.65	kJ/mol	Joback Calculated Property
ΔvapH°	91.58	kJ/mol	Joback Calculated Property
log10WS	-8.09		Crippen Calculated Property
logPoct/wat	7.530		Crippen Calculated Property
McVol	398.060	ml/mol	McGowan Calculated Property
Pc	1021.38	kPa	Joback Calculated Property
Inp	[3512.00; 3512.00]
Inp	3512.00		NIST
Inp	3512.00		NIST
Tboil	1103.28	K	Joback Calculated Property
Tc	1368.22	K	Joback Calculated Property
Tfus	784.29	K	Joback Calculated Property
Vc	1.502	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1730.08; 2368.81]	J/mol×K	[1103.28; 1368.22]
Cp,gas	1730.08	J/mol×K	1103.28	Joback Calculated Property
Cp,gas	1810.00	J/mol×K	1147.44	Joback Calculated Property
Cp,gas	1899.07	J/mol×K	1191.59	Joback Calculated Property
Cp,gas	1998.39	J/mol×K	1235.75	Joback Calculated Property
Cp,gas	2109.06	J/mol×K	1279.91	Joback Calculated Property
Cp,gas	2232.17	J/mol×K	1324.06	Joback Calculated Property
Cp,gas	2368.81	J/mol×K	1368.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Olean-12-en-28-oic acid, 3-oxo-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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