Chemical Properties of Glutaric acid, 2,4-dichlorobenzyl isobutyl ester

InChI

InChI=1S/C16H20Cl2O4/c1-11(2)9-21-15(19)4-3-5-16(20)22-10-12-6-7-13(17)8-14(12)18/h6-8,11H,3-5,9-10H2,1-2H3

InChI Key

XVSSANGGTOVUEO-UHFFFAOYSA-N

Formula

C16H20Cl2O4

SMILES

CC(C)COC(=O)CCCC(=O)OCc1ccc(Cl)cc1Cl

Molecular Weight¹

347.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, 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	[351.92; 753.48]	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			5.79550e+01
Coefficient B			1.23584e+00
Coefficient C			-5.98520e-04
Coefficient D			5.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.92	J/mol×K	273.00	Calculated Property
Cp,gas	422.83	J/mol×K	353.78	Calculated Property
Cp,gas	486.75	J/mol×K	434.56	Calculated Property
Cp,gas	543.84	J/mol×K	515.33	Calculated Property
Cp,gas	594.30	J/mol×K	596.11	Calculated Property
Cp,gas	638.30	J/mol×K	676.89	Calculated Property
Cp,gas	676.04	J/mol×K	757.67	Calculated Property
Cp,gas	707.69	J/mol×K	838.44	Calculated Property
Cp,gas	733.44	J/mol×K	919.22	Calculated Property
Cp,gas	753.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008408; 0.0000842]	Pa×s	[451.04; 701.38]	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			-1.35280e+01
Coefficient B			2.90780e+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.			451.04
Temperature range, max.			701.38
η	0.0008408	Pa×s	451.04	Calculated Property
η	0.0005782	Pa×s	478.86	Calculated Property
η	0.0004143	Pa×s	506.67	Calculated Property
η	0.0003073	Pa×s	534.49	Calculated Property
η	0.0002348	Pa×s	562.30	Calculated Property
η	0.0001840	Pa×s	590.12	Calculated Property
η	0.0001474	Pa×s	617.93	Calculated Property
η	0.0001204	Pa×s	645.75	Calculated Property
η	0.0000999	Pa×s	673.56	Calculated Property
η	0.0000842	Pa×s	701.38	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4-dichlorobenzyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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