Chemical Properties of 1,2-Dipalmitin

InChI

InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3

InChI Key

JEJLGIQLPYYGEE-UHFFFAOYSA-N

Formula

C35H68O5

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC

Molecular Weight¹

568.92

Other Names

• (±)-1-(hydroxymethyl)ethane-1,2-diyl dipalmitate

• 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).
• 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, Ionization energy 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	[792.82; 1860.44]	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			2.55000e+01
Coefficient B			3.25914e+00
Coefficient C			-1.72460e-03
Coefficient D			3.00400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	792.82	J/mol×K	273.00	Calculated Property
Cp,gas	975.96	J/mol×K	353.78	Calculated Property
Cp,gas	1140.76	J/mol×K	434.56	Calculated Property
Cp,gas	1288.16	J/mol×K	515.33	Calculated Property
Cp,gas	1419.11	J/mol×K	596.11	Calculated Property
Cp,gas	1534.57	J/mol×K	676.89	Calculated Property
Cp,gas	1635.48	J/mol×K	757.67	Calculated Property
Cp,gas	1722.79	J/mol×K	838.44	Calculated Property
Cp,gas	1797.46	J/mol×K	919.22	Calculated Property
Cp,gas	1860.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000421; 0.0000004]	Pa×s	[614.69; 1163.43]	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			-2.00683e+01
Coefficient B			6.14289e+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.			614.69
Temperature range, max.			1163.43
η	0.0000421	Pa×s	614.69	Calculated Property
η	0.0000171	Pa×s	675.66	Calculated Property
η	0.0000081	Pa×s	736.63	Calculated Property
η	0.0000043	Pa×s	797.60	Calculated Property
η	0.0000025	Pa×s	858.57	Calculated Property
η	0.0000015	Pa×s	919.55	Calculated Property
η	0.0000010	Pa×s	980.52	Calculated Property
η	0.0000007	Pa×s	1041.49	Calculated Property
η	0.0000005	Pa×s	1102.46	Calculated Property
η	0.0000004	Pa×s	1163.43	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dipalmitin.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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