Chemical Properties of Glutaric acid, 2-(2,4-dichlorophenyl)ethyl hexyl ester

InChI

InChI=1S/C19H26Cl2O4/c1-2-3-4-5-12-24-18(22)7-6-8-19(23)25-13-11-15-9-10-16(20)14-17(15)21/h9-10,14H,2-8,11-13H2,1H3

InChI Key

VBEDXHFRGYMWMV-UHFFFAOYSA-N

Formula

C19H26Cl2O4

SMILES

CCCCCCOC(=O)CCCC(=O)OCCc1ccc(Cl)cc1Cl

Molecular Weight¹

389.31

• 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	[415.87; 907.71]	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			5.69100e+01
Coefficient B			1.51492e+00
Coefficient C			-7.58520e-04
Coefficient D			9.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	415.87	J/mol×K	273.00	Calculated Property
Cp,gas	502.10	J/mol×K	353.78	Calculated Property
Cp,gas	579.74	J/mol×K	434.56	Calculated Property
Cp,gas	649.08	J/mol×K	515.33	Calculated Property
Cp,gas	710.43	J/mol×K	596.11	Calculated Property
Cp,gas	764.08	J/mol×K	676.89	Calculated Property
Cp,gas	810.34	J/mol×K	757.67	Calculated Property
Cp,gas	849.50	J/mol×K	838.44	Calculated Property
Cp,gas	881.85	J/mol×K	919.22	Calculated Property
Cp,gas	907.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005158; 0.0000640]	Pa×s	[499.85; 747.16]	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			-1.38766e+01
Coefficient B			3.15246e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			499.85
Temperature range, max.			747.16
η	0.0005158	Pa×s	499.85	Calculated Property
η	0.0003713	Pa×s	527.33	Calculated Property
η	0.0002762	Pa×s	554.81	Calculated Property
η	0.0002112	Pa×s	582.29	Calculated Property
η	0.0001655	Pa×s	609.76	Calculated Property
η	0.0001324	Pa×s	637.24	Calculated Property
η	0.0001079	Pa×s	664.72	Calculated Property
η	0.0000894	Pa×s	692.20	Calculated Property
η	0.0000751	Pa×s	719.68	Calculated Property
η	0.0000640	Pa×s	747.16	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(2,4-dichlorophenyl)ethyl hexyl 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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