Chemical Properties of 1,2-Distearin (CAS 51063-97-9)

InChI

InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3

InChI Key

UHUSDOQQWJGJQS-UHFFFAOYSA-N

Formula

C39H76O5

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC

Molecular Weight¹

625.02

CAS

51063-97-9

Other Names

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

• 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	[877.68; 2066.80]	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			2.18640e+01
Coefficient B			3.63914e+00
Coefficient C			-1.94220e-03
Coefficient D			3.48000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	877.68	J/mol×K	273.00	Calculated Property
Cp,gas	1081.64	J/mol×K	353.78	Calculated Property
Cp,gas	1265.07	J/mol×K	434.56	Calculated Property
Cp,gas	1429.07	J/mol×K	515.33	Calculated Property
Cp,gas	1574.75	J/mol×K	596.11	Calculated Property
Cp,gas	1703.21	J/mol×K	676.89	Calculated Property
Cp,gas	1815.54	J/mol×K	757.67	Calculated Property
Cp,gas	1912.85	J/mol×K	838.44	Calculated Property
Cp,gas	1996.24	J/mol×K	919.22	Calculated Property
Cp,gas	2066.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000187; 0.0000001]	Pa×s	[659.77; 1345.90]	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			-2.07702e+01
Coefficient B			6.51953e+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.			659.77
Temperature range, max.			1345.90
η	0.0000187	Pa×s	659.77	Calculated Property
η	0.0000067	Pa×s	736.01	Calculated Property
η	0.0000029	Pa×s	812.24	Calculated Property
η	0.0000015	Pa×s	888.48	Calculated Property
η	0.0000008	Pa×s	964.72	Calculated Property
η	0.0000005	Pa×s	1040.95	Calculated Property
η	0.0000003	Pa×s	1117.19	Calculated Property
η	0.0000002	Pa×s	1193.42	Calculated Property
η	0.0000002	Pa×s	1269.66	Calculated Property
η	0.0000001	Pa×s	1345.90	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Distearin.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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