Chemical Properties of («beta»-acetoxy-octadecanoyl)-acetyl-glycerol

InChI

InChI=1S/C27H48O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(34-23(3)29)19-27(31)33-21-26(35-24(4)30)20-32-22(2)28/h25-26H,5-21H2,1-4H3

InChI Key

UWEMKTDDCNNINX-UHFFFAOYSA-N

Formula

C27H48O8

SMILES

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

Molecular Weight¹

500.67

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[642.97; 1445.80]	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			7.66170e+01
Coefficient B			2.36148e+00
Coefficient C			-1.07300e-03
Coefficient D			8.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	642.97	J/mol×K	273.00	Calculated Property
Cp,gas	781.33	J/mol×K	353.78	Calculated Property
Cp,gas	906.81	J/mol×K	434.56	Calculated Property
Cp,gas	1019.66	J/mol×K	515.33	Calculated Property
Cp,gas	1120.13	J/mol×K	596.11	Calculated Property
Cp,gas	1208.48	J/mol×K	676.89	Calculated Property
Cp,gas	1284.97	J/mol×K	757.67	Calculated Property
Cp,gas	1349.85	J/mol×K	838.44	Calculated Property
Cp,gas	1403.37	J/mol×K	919.22	Calculated Property
Cp,gas	1445.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002431; 0.0000073]	Pa×s	[533.37; 915.55]	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			-1.67350e+01
Coefficient B			4.48728e+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.			533.37
Temperature range, max.			915.55
η	0.0002431	Pa×s	533.37	Calculated Property
η	0.0001307	Pa×s	575.83	Calculated Property
η	0.0000765	Pa×s	618.30	Calculated Property
η	0.0000480	Pa×s	660.76	Calculated Property
η	0.0000319	Pa×s	703.23	Calculated Property
η	0.0000222	Pa×s	745.69	Calculated Property
η	0.0000160	Pa×s	788.15	Calculated Property
η	0.0000120	Pa×s	830.62	Calculated Property
η	0.0000092	Pa×s	873.08	Calculated Property
η	0.0000073	Pa×s	915.55	Calculated Property

Similar Compounds

Find more compounds similar to («beta»-acetoxy-octadecanoyl)-acetyl-glycerol.

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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