Chemical Properties of Isopropyl linoleate (CAS 22882-95-7)

InChI

InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8-,12-11-

InChI Key

XEIOPEQGDSYOIH-MURFETPASA-N

Formula

C21H38O2

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C

Molecular Weight¹

322.53

CAS

22882-95-7

Other Names

• 9,12-Octadecadienoic acid (Z,Z)-, 1-methylethyl ester
• Ceraphyl IPL
• isopropyl (9Z,12Z)-octadeca-9,12-dienoate

• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.99; 1050.22]	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			-2.08380e+01
Coefficient B			1.98996e+00
Coefficient C			-1.19480e-03
Coefficient D			2.75900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	438.99	J/mol×K	273.00	Calculated Property
Cp,gas	545.84	J/mol×K	353.78	Calculated Property
Cp,gas	640.93	J/mol×K	434.56	Calculated Property
Cp,gas	725.11	J/mol×K	515.33	Calculated Property
Cp,gas	799.27	J/mol×K	596.11	Calculated Property
Cp,gas	864.28	J/mol×K	676.89	Calculated Property
Cp,gas	921.00	J/mol×K	757.67	Calculated Property
Cp,gas	970.32	J/mol×K	838.44	Calculated Property
Cp,gas	1013.10	J/mol×K	919.22	Calculated Property
Cp,gas	1050.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025968; 0.0000681]	Pa×s	[343.60; 646.97]	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			-1.37178e+01
Coefficient B			2.66782e+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.			343.60
Temperature range, max.			646.97
η	0.0025968	Pa×s	343.60	Calculated Property
η	0.0012977	Pa×s	377.31	Calculated Property
η	0.0007267	Pa×s	411.02	Calculated Property
η	0.0004443	Pa×s	444.72	Calculated Property
η	0.0002912	Pa×s	478.43	Calculated Property
η	0.0002017	Pa×s	512.14	Calculated Property
η	0.0001462	Pa×s	545.85	Calculated Property
η	0.0001100	Pa×s	579.56	Calculated Property
η	0.0000854	Pa×s	613.26	Calculated Property
η	0.0000681	Pa×s	646.97	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl linoleate.

Sources

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

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