Chemical Properties of Glycerol, 2,3-dimethyl, 1-(12-methyltetradecanoate)

InChI

InChI=1S/C20H40O4/c1-5-18(2)14-12-10-8-6-7-9-11-13-15-20(21)24-17-19(23-4)16-22-3/h18-19H,5-17H2,1-4H3

InChI Key

BGVGITAXRXEPPX-UHFFFAOYSA-N

Formula

C20H40O4

SMILES

CCC(C)CCCCCCCCCCC(=O)OCC(COC)OC

Molecular Weight¹

344.54

• 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).
• 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, 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	[476.27; 1097.33]	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			5.77530e+01
Coefficient B			1.73448e+00
Coefficient C			-7.54000e-04
Coefficient D			5.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.27	J/mol×K	273.00	Calculated Property
Cp,gas	579.62	J/mol×K	353.78	Calculated Property
Cp,gas	673.95	J/mol×K	434.56	Calculated Property
Cp,gas	759.44	J/mol×K	515.33	Calculated Property
Cp,gas	836.28	J/mol×K	596.11	Calculated Property
Cp,gas	904.67	J/mol×K	676.89	Calculated Property
Cp,gas	964.78	J/mol×K	757.67	Calculated Property
Cp,gas	1016.80	J/mol×K	838.44	Calculated Property
Cp,gas	1060.92	J/mol×K	919.22	Calculated Property
Cp,gas	1097.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016926; 0.0000583]	Pa×s	[371.95; 654.26]	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			-1.41868e+01
Coefficient B			2.90318e+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.			371.95
Temperature range, max.			654.26
η	0.0016926	Pa×s	371.95	Calculated Property
η	0.0009224	Pa×s	403.32	Calculated Property
η	0.0005487	Pa×s	434.69	Calculated Property
η	0.0003500	Pa×s	466.05	Calculated Property
η	0.0002363	Pa×s	497.42	Calculated Property
η	0.0001672	Pa×s	528.79	Calculated Property
η	0.0001229	Pa×s	560.16	Calculated Property
η	0.0000934	Pa×s	591.53	Calculated Property
η	0.0000729	Pa×s	622.90	Calculated Property
η	0.0000583	Pa×s	654.26	Calculated Property

Similar Compounds

Find more compounds similar to Glycerol, 2,3-dimethyl, 1-(12-methyltetradecanoate).

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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