Chemical Properties of Octadecanoic acid, 12-oxo-, methyl ester (CAS 2380-27-0)

InChI

InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3

InChI Key

XVSPEBNRFAFNAV-UHFFFAOYSA-N

Formula

C19H36O3

SMILES

CCCCCCC(=O)CCCCCCCCCCC(=O)OC

Molecular Weight¹

312.49

CAS

2380-27-0

Other Names

• Methyl 12-ketostearate
• Methyl 12-oxostearate
• 12-Oxostearic acid, methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[425.81; 996.68]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.83850e+01
Coefficient B			1.72604e+00
Coefficient C			-8.96500e-04
Coefficient D			1.48760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	425.81	J/mol×K	273.00	Calculated Property
Cp,gas	523.40	J/mol×K	353.78	Calculated Property
Cp,gas	611.36	J/mol×K	434.56	Calculated Property
Cp,gas	690.15	J/mol×K	515.33	Calculated Property
Cp,gas	760.24	J/mol×K	596.11	Calculated Property
Cp,gas	822.10	J/mol×K	676.89	Calculated Property
Cp,gas	876.21	J/mol×K	757.67	Calculated Property
Cp,gas	923.03	J/mol×K	838.44	Calculated Property
Cp,gas	963.03	J/mol×K	919.22	Calculated Property
Cp,gas	996.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018520; 0.0001287]	Pa×s	[396.15; 645.34]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.31964e+01
Coefficient B			2.73539e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			396.15
Temperature range, max.			645.34
η	0.0018520	Pa×s	396.15	Calculated Property
η	0.0011796	Pa×s	423.84	Calculated Property
η	0.0007941	Pa×s	451.53	Calculated Property
η	0.0005596	Pa×s	479.21	Calculated Property
η	0.0004097	Pa×s	506.90	Calculated Property
η	0.0003098	Pa×s	534.59	Calculated Property
η	0.0002408	Pa×s	562.28	Calculated Property
η	0.0001916	Pa×s	589.96	Calculated Property
η	0.0001557	Pa×s	617.65	Calculated Property
η	0.0001287	Pa×s	645.34	Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 12-oxo-, methyl ester.

Sources

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

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