Chemical Properties of Glyceryl tri-18-acetoxystearate

InChI

InChI=1S/C63H116O12/c1-57(64)70-52-46-40-34-28-22-16-10-4-7-13-19-25-31-37-43-49-61(67)73-55-60(75-63(69)51-45-39-33-27-21-15-9-6-12-18-24-30-36-42-48-54-72-59(3)66)56-74-62(68)50-44-38-32-26-20-14-8-5-11-17-23-29-35-41-47-53-71-58(2)65/h60H,4-56H2,1-3H3

InChI Key

GKLLDHHZSUEWRE-UHFFFAOYSA-N

Formula

C63H116O12

SMILES

CC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCOC(C)=O)OC(=O)CCCCCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

1065.61

• 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	[1439.66; 3318.75]	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			9.63930e+01
Coefficient B			5.66596e+00
Coefficient C			-2.83900e-03
Coefficient D			3.95400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	1439.66	J/mol×K	273.00	Calculated Property
Cp,gas	1763.07	J/mol×K	353.78	Calculated Property
Cp,gas	2054.90	J/mol×K	434.56	Calculated Property
Cp,gas	2316.42	J/mol×K	515.33	Calculated Property
Cp,gas	2548.86	J/mol×K	596.11	Calculated Property
Cp,gas	2753.48	J/mol×K	676.89	Calculated Property
Cp,gas	2931.53	J/mol×K	757.67	Calculated Property
Cp,gas	3084.26	J/mol×K	838.44	Calculated Property
Cp,gas	3212.91	J/mol×K	919.22	Calculated Property
Cp,gas	3318.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[8.7945139e-08; 3.2969744e-11]	Pa×s	[1038.75; 21110.33]	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			-2.45437e+01
Coefficient B			8.61866e+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.			1038.75
Temperature range, max.			21110.33
η	8.7945139e-08	Pa×s	1038.75	Calculated Property
η	3.0608567e-10	Pa×s	3268.93	Calculated Property
η	1.0506804e-10	Pa×s	5499.10	Calculated Property
η	6.6845882e-11	Pa×s	7729.28	Calculated Property
η	5.2075666e-11	Pa×s	9959.45	Calculated Property
η	4.4450292e-11	Pa×s	12189.63	Calculated Property
η	3.9845878e-11	Pa×s	14419.80	Calculated Property
η	3.6780241e-11	Pa×s	16649.98	Calculated Property
η	3.4598695e-11	Pa×s	18880.15	Calculated Property
η	3.2969744e-11	Pa×s	21110.33	Calculated Property

Similar Compounds

Find more compounds similar to Glyceryl tri-18-acetoxystearate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.