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

InChI

InChI=1S/C21H30Cl2O4/c1-2-3-4-5-6-7-14-26-20(24)9-8-10-21(25)27-15-13-17-11-12-18(22)16-19(17)23/h11-12,16H,2-10,13-15H2,1H3

InChI Key

KPQHJXOPNSXMRO-UHFFFAOYSA-N

Formula

C21H30Cl2O4

SMILES

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

Molecular Weight¹

417.37

• 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	[458.30; 1010.89]	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			5.50920e+01
Coefficient B			1.70492e+00
Coefficient C			-8.67320e-04
Coefficient D			1.18200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	458.30	J/mol×K	273.00	Calculated Property
Cp,gas	554.94	J/mol×K	353.78	Calculated Property
Cp,gas	641.89	J/mol×K	434.56	Calculated Property
Cp,gas	719.54	J/mol×K	515.33	Calculated Property
Cp,gas	788.25	J/mol×K	596.11	Calculated Property
Cp,gas	848.40	J/mol×K	676.89	Calculated Property
Cp,gas	900.37	J/mol×K	757.67	Calculated Property
Cp,gas	944.53	J/mol×K	838.44	Calculated Property
Cp,gas	981.24	J/mol×K	919.22	Calculated Property
Cp,gas	1010.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004057; 0.0000487]	Pa×s	[522.39; 781.27]	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			-1.42050e+01
Coefficient B			3.34078e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			522.39
Temperature range, max.			781.27
η	0.0004057	Pa×s	522.39	Calculated Property
η	0.0002906	Pa×s	551.15	Calculated Property
η	0.0002151	Pa×s	579.92	Calculated Property
η	0.0001639	Pa×s	608.68	Calculated Property
η	0.0001279	Pa×s	637.45	Calculated Property
η	0.0001020	Pa×s	666.21	Calculated Property
η	0.0000829	Pa×s	694.97	Calculated Property
η	0.0000685	Pa×s	723.74	Calculated Property
η	0.0000574	Pa×s	752.50	Calculated Property
η	0.0000487	Pa×s	781.27	Calculated Property

Similar Compounds

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