Chemical Properties of Sorbitan, tristearate (CAS 26658-19-5)

InChI

InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)65-53-55(68-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)60-59(64)54(52-66-60)67-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-60,64H,4-53H2,1-3H3

InChI Key

NBIZFEQHLSJRPG-UHFFFAOYSA-N

Formula

C60H114O8

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1O

Molecular Weight¹

963.54

CAS

26658-19-5

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Log10 of Water solubility in mol/l 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	[1328.17; 3174.46]	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			-3.10100e+00
Coefficient B			5.65506e+00
Coefficient C			-2.99270e-03
Coefficient D			5.15200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	1328.17	J/mol×K	273.00	Calculated Property
Cp,gas	1645.78	J/mol×K	353.78	Calculated Property
Cp,gas	1931.48	J/mol×K	434.56	Calculated Property
Cp,gas	2186.88	J/mol×K	515.33	Calculated Property
Cp,gas	2413.63	J/mol×K	596.11	Calculated Property
Cp,gas	2613.34	J/mol×K	676.89	Calculated Property
Cp,gas	2787.65	J/mol×K	757.67	Calculated Property
Cp,gas	2938.18	J/mol×K	838.44	Calculated Property
Cp,gas	3066.58	J/mol×K	919.22	Calculated Property
Cp,gas	3174.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000003; 1.5016488e-10]	Pa×s	[967.76; 6153.35]	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			-2.40054e+01
Coefficient B			8.52900e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			967.76
Temperature range, max.			6153.35
η	0.0000003	Pa×s	967.76	Calculated Property
η	9.4130247e-09	Pa×s	1543.94	Calculated Property
η	2.0976174e-09	Pa×s	2120.11	Calculated Property
η	8.8793160e-10	Pa×s	2696.29	Calculated Property
η	5.0874669e-10	Pa×s	3272.47	Calculated Property
η	3.4438665e-10	Pa×s	3848.64	Calculated Property
η	2.5806088e-10	Pa×s	4424.82	Calculated Property
η	2.0666923e-10	Pa×s	5001.00	Calculated Property
η	1.7328348e-10	Pa×s	5577.17	Calculated Property
η	1.5016488e-10	Pa×s	6153.35	Calculated Property

Similar Compounds

Find more compounds similar to Sorbitan, tristearate.

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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