Chemical Properties of Octadecanoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester

InChI

InChI=1S/C25H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-24(20-29-22(2)26)21-30-23(3)27/h24H,4-21H2,1-3H3

InChI Key

FLZMENQJJSKDLW-UHFFFAOYSA-N

Formula

C25H46O6

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COC(C)=O)COC(C)=O

Molecular Weight¹

442.64

Other Names

• Glycerol, 2-octadecanoate, diacetate

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[584.52; 1333.97]	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			5.47080e+01
Coefficient B			2.22036e+00
Coefficient C			-1.05560e-03
Coefficient D			1.14500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	584.52	J/mol×K	273.00	Calculated Property
Cp,gas	713.17	J/mol×K	353.78	Calculated Property
Cp,gas	829.64	J/mol×K	434.56	Calculated Property
Cp,gas	934.27	J/mol×K	515.33	Calculated Property
Cp,gas	1027.44	J/mol×K	596.11	Calculated Property
Cp,gas	1109.50	J/mol×K	676.89	Calculated Property
Cp,gas	1180.83	J/mol×K	757.67	Calculated Property
Cp,gas	1241.77	J/mol×K	838.44	Calculated Property
Cp,gas	1292.70	J/mol×K	919.22	Calculated Property
Cp,gas	1333.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005250; 0.0000203]	Pa×s	[483.50; 814.24]	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			-1.55592e+01
Coefficient B			3.87142e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			483.50
Temperature range, max.			814.24
η	0.0005250	Pa×s	483.50	Calculated Property
η	0.0002982	Pa×s	520.25	Calculated Property
η	0.0001825	Pa×s	557.00	Calculated Property
η	0.0001187	Pa×s	593.75	Calculated Property
η	0.0000812	Pa×s	630.49	Calculated Property
η	0.0000579	Pa×s	667.24	Calculated Property
η	0.0000428	Pa×s	703.99	Calculated Property
η	0.0000325	Pa×s	740.74	Calculated Property
η	0.0000254	Pa×s	777.49	Calculated Property
η	0.0000203	Pa×s	814.24	Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester.

Sources

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

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