Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 4-chlorobenzyl ester

InChI

InChI=1S/C18H14Cl4O4/c19-12-6-4-11(5-7-12)10-25-16(23)2-1-3-17(24)26-18-14(21)8-13(20)9-15(18)22/h4-9H,1-3,10H2

InChI Key

RODPXDOWDOTINO-UHFFFAOYSA-N

Formula

C18H14Cl4O4

SMILES

O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCc1ccc(Cl)cc1

Molecular Weight¹

436.12

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.43	kJ/mol	Joback Calculated Property
logPoct/wat	6.119		Crippen Calculated Property
McVol	280.800	ml/mol	McGowan Calculated Property
Inp	[3098.00; 3098.00]
Inp	3098.00		NIST
Inp	3098.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[369.31; 748.05]	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			7.82940e+01
Coefficient B			1.23560e+00
Coefficient C			-6.42040e-04
Coefficient D			7.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.31	J/mol×K	273.00	Calculated Property
Cp,gas	438.44	J/mol×K	353.78	Calculated Property
Cp,gas	500.24	J/mol×K	434.56	Calculated Property
Cp,gas	554.96	J/mol×K	515.33	Calculated Property
Cp,gas	602.84	J/mol×K	596.11	Calculated Property
Cp,gas	644.12	J/mol×K	676.89	Calculated Property
Cp,gas	679.04	J/mol×K	757.67	Calculated Property
Cp,gas	707.84	J/mol×K	838.44	Calculated Property
Cp,gas	730.77	J/mol×K	919.22	Calculated Property
Cp,gas	748.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002500; 0.0000528]	Pa×s	[599.88; 833.13]	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			-1.38481e+01
Coefficient B			3.33184e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			599.88
Temperature range, max.			833.13
η	0.0002500	Pa×s	599.88	Calculated Property
η	0.0001987	Pa×s	625.80	Calculated Property
η	0.0001607	Pa×s	651.71	Calculated Property
η	0.0001322	Pa×s	677.63	Calculated Property
η	0.0001103	Pa×s	703.55	Calculated Property
η	0.0000932	Pa×s	729.47	Calculated Property
η	0.0000797	Pa×s	755.38	Calculated Property
η	0.0000688	Pa×s	781.30	Calculated Property
η	0.0000600	Pa×s	807.22	Calculated Property
η	0.0000528	Pa×s	833.13	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 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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