Chemical Properties of Glutaric acid, di(2-(2-chlorophenyl)ethyl) ester

InChI

InChI=1S/C21H22Cl2O4/c22-18-8-3-1-6-16(18)12-14-26-20(24)10-5-11-21(25)27-15-13-17-7-2-4-9-19(17)23/h1-4,6-9H,5,10-15H2

InChI Key

NOVIZNMNCLQWFT-UHFFFAOYSA-N

Formula

C21H22Cl2O4

SMILES

O=C(CCCC(=O)OCCc1ccccc1Cl)OCCc1ccccc1Cl

Molecular Weight¹

409.30

• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[401.04; 892.37]	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			2.11870e+01
Coefficient B			1.62600e+00
Coefficient C			-8.98520e-04
Coefficient D			1.43700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.04	J/mol×K	273.00	Calculated Property
Cp,gas	490.33	J/mol×K	353.78	Calculated Property
Cp,gas	569.89	J/mol×K	434.56	Calculated Property
Cp,gas	640.17	J/mol×K	515.33	Calculated Property
Cp,gas	701.62	J/mol×K	596.11	Calculated Property
Cp,gas	754.69	J/mol×K	676.89	Calculated Property
Cp,gas	799.85	J/mol×K	757.67	Calculated Property
Cp,gas	837.55	J/mol×K	838.44	Calculated Property
Cp,gas	868.23	J/mol×K	919.22	Calculated Property
Cp,gas	892.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003490; 0.0000473]	Pa×s	[548.81; 813.12]	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			-1.41085e+01
Coefficient B			3.37420e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			548.81
Temperature range, max.			813.12
η	0.0003490	Pa×s	548.81	Calculated Property
η	0.0002554	Pa×s	578.18	Calculated Property
η	0.0001926	Pa×s	607.55	Calculated Property
η	0.0001491	Pa×s	636.91	Calculated Property
η	0.0001181	Pa×s	666.28	Calculated Property
η	0.0000953	Pa×s	695.65	Calculated Property
η	0.0000783	Pa×s	725.02	Calculated Property
η	0.0000653	Pa×s	754.39	Calculated Property
η	0.0000553	Pa×s	783.76	Calculated Property
η	0.0000473	Pa×s	813.12	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-(2-chlorophenyl)ethyl) 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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