Chemical Properties of Alpha-stearoyl stearic acid, methyl ester (CAS 10126-69-9)

InChI

InChI=1S/C37H72O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(38)35(37(39)40-3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3

InChI Key

QSOSUDRRPSNGFF-UHFFFAOYSA-N

Formula

C37H72O3

SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)C(=O)OC

Molecular Weight¹

564.97

CAS

10126-69-9

• 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).
• 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 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	[807.34; 1925.86]	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			3.41000e-01
Coefficient B			3.44196e+00
Coefficient C			-1.87890e-03
Coefficient D			3.62460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	807.34	J/mol×K	273.00	Calculated Property
Cp,gas	998.92	J/mol×K	353.78	Calculated Property
Cp,gas	1171.00	J/mol×K	434.56	Calculated Property
Cp,gas	1324.73	J/mol×K	515.33	Calculated Property
Cp,gas	1461.25	J/mol×K	596.11	Calculated Property
Cp,gas	1581.71	J/mol×K	676.89	Calculated Property
Cp,gas	1687.25	J/mol×K	757.67	Calculated Property
Cp,gas	1779.03	J/mol×K	838.44	Calculated Property
Cp,gas	1858.18	J/mol×K	919.22	Calculated Property
Cp,gas	1925.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001717; 0.0000053]	Pa×s	[584.01; 1073.18]	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			-1.63202e+01
Coefficient B			4.46809e+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.			584.01
Temperature range, max.			1073.18
η	0.0001717	Pa×s	584.01	Calculated Property
η	0.0000895	Pa×s	638.36	Calculated Property
η	0.0000517	Pa×s	692.71	Calculated Property
η	0.0000323	Pa×s	747.07	Calculated Property
η	0.0000216	Pa×s	801.42	Calculated Property
η	0.0000151	Pa×s	855.77	Calculated Property
η	0.0000111	Pa×s	910.12	Calculated Property
η	0.0000084	Pa×s	964.47	Calculated Property
η	0.0000066	Pa×s	1018.83	Calculated Property
η	0.0000053	Pa×s	1073.18	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-stearoyl stearic acid, methyl ester.

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.