Chemical Properties of Glutaric acid, 4-chlorobenzyl isohexyl ester

InChI

InChI=1S/C18H25ClO4/c1-14(2)5-4-12-22-17(20)6-3-7-18(21)23-13-15-8-10-16(19)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3

InChI Key

LCUMBSCHASRPPQ-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

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

Molecular Weight¹

340.85

• 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).
• 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, 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	[378.39; 851.43]	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			2.89470e+01
Coefficient B			1.47854e+00
Coefficient C			-7.53960e-04
Coefficient D			9.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.39	J/mol×K	273.00	Calculated Property
Cp,gas	461.99	J/mol×K	353.78	Calculated Property
Cp,gas	537.11	J/mol×K	434.56	Calculated Property
Cp,gas	604.06	J/mol×K	515.33	Calculated Property
Cp,gas	663.14	J/mol×K	596.11	Calculated Property
Cp,gas	714.67	J/mol×K	676.89	Calculated Property
Cp,gas	758.95	J/mol×K	757.67	Calculated Property
Cp,gas	796.30	J/mol×K	838.44	Calculated Property
Cp,gas	827.02	J/mol×K	919.22	Calculated Property
Cp,gas	851.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010682; 0.0000759]	Pa×s	[431.14; 698.80]	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			-1.37446e+01
Coefficient B			2.97606e+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.			431.14
Temperature range, max.			698.80
η	0.0010682	Pa×s	431.14	Calculated Property
η	0.0006842	Pa×s	460.88	Calculated Property
η	0.0004626	Pa×s	490.62	Calculated Property
η	0.0003271	Pa×s	520.36	Calculated Property
η	0.0002401	Pa×s	550.10	Calculated Property
η	0.0001819	Pa×s	579.84	Calculated Property
η	0.0001416	Pa×s	609.58	Calculated Property
η	0.0001128	Pa×s	639.32	Calculated Property
η	0.0000918	Pa×s	669.06	Calculated Property
η	0.0000759	Pa×s	698.80	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-chlorobenzyl isohexyl 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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