Chemical Properties of Glutaric acid, di(4-chlorobenzyl) ester

InChI

InChI=1S/C19H18Cl2O4/c20-16-8-4-14(5-9-16)12-24-18(22)2-1-3-19(23)25-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2

InChI Key

KXTUAIVSIIFDLV-UHFFFAOYSA-N

Formula

C19H18Cl2O4

SMILES

O=C(CCCC(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1

Molecular Weight¹

381.25

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[358.62; 789.18]	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			2.30050e+01
Coefficient B			1.43600e+00
Coefficient C			-7.89720e-04
Coefficient D			1.19900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.62	J/mol×K	273.00	Calculated Property
Cp,gas	437.50	J/mol×K	353.78	Calculated Property
Cp,gas	507.74	J/mol×K	434.56	Calculated Property
Cp,gas	569.71	J/mol×K	515.33	Calculated Property
Cp,gas	623.79	J/mol×K	596.11	Calculated Property
Cp,gas	670.37	J/mol×K	676.89	Calculated Property
Cp,gas	709.82	J/mol×K	757.67	Calculated Property
Cp,gas	742.52	J/mol×K	838.44	Calculated Property
Cp,gas	768.85	J/mol×K	919.22	Calculated Property
Cp,gas	789.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004404; 0.0000606]	Pa×s	[526.27; 782.81]	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			-1.37815e+01
Coefficient B			3.18588e+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.			526.27
Temperature range, max.			782.81
η	0.0004404	Pa×s	526.27	Calculated Property
η	0.0003227	Pa×s	554.77	Calculated Property
η	0.0002437	Pa×s	583.28	Calculated Property
η	0.0001890	Pa×s	611.78	Calculated Property
η	0.0001499	Pa×s	640.29	Calculated Property
η	0.0001212	Pa×s	668.79	Calculated Property
η	0.0000998	Pa×s	697.30	Calculated Property
η	0.0000834	Pa×s	725.80	Calculated Property
η	0.0000706	Pa×s	754.31	Calculated Property
η	0.0000606	Pa×s	782.81	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(4-chlorobenzyl) 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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