Chemical Properties of Hexadecanoic acid, 1,3-propanediyl ester

InChI

InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34(36)38-32-29-33-39-35(37)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

InChI Key

FBFGIPIHQQUDQF-UHFFFAOYSA-N

Formula

C35H68O4

SMILES

CCCCCCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCCCCCC

Molecular Weight¹

552.93

Other Names

• 1,3-Propanediol dipalmitate
• Hexadecanoic acid, 1,1'-(1,3-propanediyl) ester
• Palmitic acid, trimethylene 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_fusH : Enthalpy of fusion at a given temperature (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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.64; 1841.23]	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			2.18910e+01
Coefficient B			3.21924e+00
Coefficient C			-1.69100e-03
Coefficient D			2.91100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	780.64	J/mol×K	273.00	Calculated Property
Cp,gas	962.03	J/mol×K	353.78	Calculated Property
Cp,gas	1125.39	J/mol×K	434.56	Calculated Property
Cp,gas	1271.64	J/mol×K	515.33	Calculated Property
Cp,gas	1401.68	J/mol×K	596.11	Calculated Property
Cp,gas	1516.46	J/mol×K	676.89	Calculated Property
Cp,gas	1616.88	J/mol×K	757.67	Calculated Property
Cp,gas	1703.87	J/mol×K	838.44	Calculated Property
Cp,gas	1778.35	J/mol×K	919.22	Calculated Property
Cp,gas	1841.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001638; 0.0000054]	Pa×s	[568.87; 1022.06]	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			-1.64258e+01
Coefficient B			4.38548e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			568.87
Temperature range, max.			1022.06
η	0.0001638	Pa×s	568.87	Calculated Property
η	0.0000875	Pa×s	619.22	Calculated Property
η	0.0000514	Pa×s	669.58	Calculated Property
η	0.0000325	Pa×s	719.93	Calculated Property
η	0.0000218	Pa×s	770.29	Calculated Property
η	0.0000154	Pa×s	820.64	Calculated Property
η	0.0000113	Pa×s	871.00	Calculated Property
η	0.0000086	Pa×s	921.35	Calculated Property
η	0.0000067	Pa×s	971.71	Calculated Property
η	0.0000054	Pa×s	1022.06	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, 1,3-propanediyl ester.

Sources

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

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