Chemical Properties of Glutaric acid, 3-chlorophenyl 4-chlorobenzyl ester

InChI

InChI=1S/C18H16Cl2O4/c19-14-9-7-13(8-10-14)12-23-17(21)5-2-6-18(22)24-16-4-1-3-15(20)11-16/h1,3-4,7-11H,2,5-6,12H2

InChI Key

BJTNVLSYEGLPPL-UHFFFAOYSA-N

Formula

C18H16Cl2O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCc1ccc(Cl)cc1

Molecular Weight¹

367.22

• 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).
• IE : Ionization energy (eV).
• 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°	46.81	kJ/mol	Joback Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
logPoct/wat	4.812		Crippen Calculated Property
McVol	256.320	ml/mol	McGowan Calculated Property
Inp	[2817.00; 2817.00]
Inp	2817.00		NIST
Inp	2817.00		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, 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	[337.40; 737.59]	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			2.39140e+01
Coefficient B			1.34100e+00
Coefficient C			-7.35320e-04
Coefficient D			1.08000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.40	J/mol×K	273.00	Calculated Property
Cp,gas	411.08	J/mol×K	353.78	Calculated Property
Cp,gas	476.66	J/mol×K	434.56	Calculated Property
Cp,gas	534.48	J/mol×K	515.33	Calculated Property
Cp,gas	584.88	J/mol×K	596.11	Calculated Property
Cp,gas	628.21	J/mol×K	676.89	Calculated Property
Cp,gas	664.80	J/mol×K	757.67	Calculated Property
Cp,gas	695.00	J/mol×K	838.44	Calculated Property
Cp,gas	719.15	J/mol×K	919.22	Calculated Property
Cp,gas	737.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004922; 0.0000680]	Pa×s	[515.00; 768.42]	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			-1.36200e+01
Coefficient B			3.09172e+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.			515.00
Temperature range, max.			768.42
η	0.0004922	Pa×s	515.00	Calculated Property
η	0.0003605	Pa×s	543.16	Calculated Property
η	0.0002723	Pa×s	571.31	Calculated Property
η	0.0002112	Pa×s	599.47	Calculated Property
η	0.0001676	Pa×s	627.63	Calculated Property
η	0.0001356	Pa×s	655.79	Calculated Property
η	0.0001117	Pa×s	683.94	Calculated Property
η	0.0000934	Pa×s	712.10	Calculated Property
η	0.0000792	Pa×s	740.26	Calculated Property
η	0.0000680	Pa×s	768.42	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 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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