Chemical Properties of Glutaric acid, 2,2-dichloroethyl 4-biphenyl ester

InChI

InChI=1S/C19H18Cl2O4/c20-17(21)13-24-18(22)7-4-8-19(23)25-16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2

InChI Key

KATGLQNMLIDCLG-UHFFFAOYSA-N

Formula

C19H18Cl2O4

SMILES

O=C(CCCC(=O)Oc1ccc(-c2ccccc2)cc1)OCC(Cl)Cl

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).
• 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

Property	Value	Unit	Source
ΔfusH°	46.27	kJ/mol	Joback Calculated Property
logPoct/wat	4.776		Crippen Calculated Property
McVol	270.410	ml/mol	McGowan Calculated Property
Inp	[2931.00; 2931.00]
Inp	2931.00		NIST
Inp	2931.00		NIST
Tboil	697.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[355.75; 792.76]	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			7.02400e+00
Coefficient B			1.50140e+00
Coefficient C			-8.59960e-04
Coefficient D			1.44300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	355.75	J/mol×K	273.00	Calculated Property
Cp,gas	436.94	J/mol×K	353.78	Calculated Property
Cp,gas	508.91	J/mol×K	434.56	Calculated Property
Cp,gas	572.12	J/mol×K	515.33	Calculated Property
Cp,gas	627.01	J/mol×K	596.11	Calculated Property
Cp,gas	674.04	J/mol×K	676.89	Calculated Property
Cp,gas	713.68	J/mol×K	757.67	Calculated Property
Cp,gas	746.37	J/mol×K	838.44	Calculated Property
Cp,gas	772.58	J/mol×K	919.22	Calculated Property
Cp,gas	792.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005854; 0.0000547]	Pa×s	[498.75; 780.61]	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			-1.40095e+01
Coefficient B			3.27496e+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.			498.75
Temperature range, max.			780.61
η	0.0005854	Pa×s	498.75	Calculated Property
η	0.0003972	Pa×s	530.07	Calculated Property
η	0.0002814	Pa×s	561.39	Calculated Property
η	0.0002067	Pa×s	592.70	Calculated Property
η	0.0001567	Pa×s	624.02	Calculated Property
η	0.0001219	Pa×s	655.34	Calculated Property
η	0.0000971	Pa×s	686.66	Calculated Property
η	0.0000788	Pa×s	717.97	Calculated Property
η	0.0000652	Pa×s	749.29	Calculated Property
η	0.0000547	Pa×s	780.61	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 4-biphenyl 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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