Chemical Properties of Hexadecanoic acid, 2,3-bis(acetyloxy)propyl ester (CAS 55268-70-7)

InChI

InChI=1S/C23H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)28-19-22(29-21(3)25)18-27-20(2)24/h22H,4-19H2,1-3H3

InChI Key

CIUYPOUJRYWLDF-UHFFFAOYSA-N

Formula

C23H42O6

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O

Molecular Weight¹

414.58

CAS

55268-70-7

Other Names

• Glycerol, 1-hexadecanoate, 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	[542.10; 1230.79]	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			5.65260e+01
Coefficient B			2.03036e+00
Coefficient C			-9.46800e-04
Coefficient D			9.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	542.10	J/mol×K	273.00	Calculated Property
Cp,gas	660.34	J/mol×K	353.78	Calculated Property
Cp,gas	767.48	J/mol×K	434.56	Calculated Property
Cp,gas	863.81	J/mol×K	515.33	Calculated Property
Cp,gas	949.61	J/mol×K	596.11	Calculated Property
Cp,gas	1025.18	J/mol×K	676.89	Calculated Property
Cp,gas	1090.79	J/mol×K	757.67	Calculated Property
Cp,gas	1146.74	J/mol×K	838.44	Calculated Property
Cp,gas	1193.31	J/mol×K	919.22	Calculated Property
Cp,gas	1230.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007197; 0.0000288]	Pa×s	[460.96; 771.84]	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			-1.52267e+01
Coefficient B			3.68310e+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.			460.96
Temperature range, max.			771.84
η	0.0007197	Pa×s	460.96	Calculated Property
η	0.0004123	Pa×s	495.50	Calculated Property
η	0.0002540	Pa×s	530.05	Calculated Property
η	0.0001661	Pa×s	564.59	Calculated Property
η	0.0001140	Pa×s	599.13	Calculated Property
η	0.0000815	Pa×s	633.67	Calculated Property
η	0.0000604	Pa×s	668.22	Calculated Property
η	0.0000460	Pa×s	702.76	Calculated Property
η	0.0000360	Pa×s	737.30	Calculated Property
η	0.0000288	Pa×s	771.84	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, 2,3-bis(acetyloxy)propyl ester.

Sources

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

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