Chemical Properties of Diglycolic acid, 2,4,4-trimethylpentyl undecyl ester

InChI

InChI=1S/C23H44O5/c1-6-7-8-9-10-11-12-13-14-15-27-21(24)18-26-19-22(25)28-17-20(2)16-23(3,4)5/h20H,6-19H2,1-5H3

InChI Key

LAUHYMTYMWLVHX-UHFFFAOYSA-N

Formula

C23H44O5

SMILES

CCCCCCCCCCCOC(=O)COCC(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

400.60

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[539.70; 1242.64]	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			3.21440e+01
Coefficient B			2.14780e+00
Coefficient C			-1.10220e-03
Coefficient D			1.64900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	539.70	J/mol×K	273.00	Calculated Property
Cp,gas	661.34	J/mol×K	353.78	Calculated Property
Cp,gas	770.88	J/mol×K	434.56	Calculated Property
Cp,gas	868.83	J/mol×K	515.33	Calculated Property
Cp,gas	955.74	J/mol×K	596.11	Calculated Property
Cp,gas	1032.10	J/mol×K	676.89	Calculated Property
Cp,gas	1098.46	J/mol×K	757.67	Calculated Property
Cp,gas	1155.32	J/mol×K	838.44	Calculated Property
Cp,gas	1203.20	J/mol×K	919.22	Calculated Property
Cp,gas	1242.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007721; 0.0000287]	Pa×s	[443.28; 738.01]	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			-1.54140e+01
Coefficient B			3.65601e+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.			443.28
Temperature range, max.			738.01
η	0.0007721	Pa×s	443.28	Calculated Property
η	0.0004378	Pa×s	476.03	Calculated Property
η	0.0002670	Pa×s	508.78	Calculated Property
η	0.0001729	Pa×s	541.52	Calculated Property
η	0.0001177	Pa×s	574.27	Calculated Property
η	0.0000835	Pa×s	607.02	Calculated Property
η	0.0000613	Pa×s	639.77	Calculated Property
η	0.0000464	Pa×s	672.52	Calculated Property
η	0.0000361	Pa×s	705.27	Calculated Property
η	0.0000287	Pa×s	738.01	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,4,4-trimethylpentyl undecyl 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

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