Chemical Properties of Glutaric acid, decyl 2,4-dichlorobenzyl ester

InChI

InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-7-8-9-15-27-21(25)11-10-12-22(26)28-17-18-13-14-19(23)16-20(18)24/h13-14,16H,2-12,15,17H2,1H3

InChI Key

QPVTUNHGMQERSA-UHFFFAOYSA-N

Formula

C22H32Cl2O4

SMILES

CCCCCCCCCCOC(=O)CCCC(=O)OCc1ccc(Cl)cc1Cl

Molecular Weight¹

431.39

• 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_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, 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	[479.51; 1062.48]	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			5.41830e+01
Coefficient B			1.79992e+00
Coefficient C			-9.21720e-04
Coefficient D			1.30100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	479.51	J/mol×K	273.00	Calculated Property
Cp,gas	581.35	J/mol×K	353.78	Calculated Property
Cp,gas	672.97	J/mol×K	434.56	Calculated Property
Cp,gas	754.77	J/mol×K	515.33	Calculated Property
Cp,gas	827.16	J/mol×K	596.11	Calculated Property
Cp,gas	890.57	J/mol×K	676.89	Calculated Property
Cp,gas	945.39	J/mol×K	757.67	Calculated Property
Cp,gas	992.04	J/mol×K	838.44	Calculated Property
Cp,gas	1030.93	J/mol×K	919.22	Calculated Property
Cp,gas	1062.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003582; 0.0000422]	Pa×s	[533.66; 799.19]	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			-1.43710e+01
Coefficient B			3.43494e+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.			533.66
Temperature range, max.			799.19
η	0.0003582	Pa×s	533.66	Calculated Property
η	0.0002557	Pa×s	563.16	Calculated Property
η	0.0001887	Pa×s	592.67	Calculated Property
η	0.0001434	Pa×s	622.17	Calculated Property
η	0.0001117	Pa×s	651.67	Calculated Property
η	0.0000889	Pa×s	681.18	Calculated Property
η	0.0000721	Pa×s	710.68	Calculated Property
η	0.0000595	Pa×s	740.18	Calculated Property
η	0.0000498	Pa×s	769.69	Calculated Property
η	0.0000422	Pa×s	799.19	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, decyl 2,4-dichlorobenzyl 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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