Chemical Properties of Glutaric acid, 4-chloro-3-methylphenyl hexyl ester

InChI

InChI=1S/C18H25ClO4/c1-3-4-5-6-12-22-17(20)8-7-9-18(21)23-15-10-11-16(19)14(2)13-15/h10-11,13H,3-9,12H2,1-2H3

InChI Key

GFPCUALOQHVPJY-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

CCCCCCOC(=O)CCCC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

340.84

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[381.25; 847.85]	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			4.49280e+01
Coefficient B			1.41314e+00
Coefficient C			-6.83720e-04
Coefficient D			7.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	381.25	J/mol×K	273.00	Calculated Property
Cp,gas	462.55	J/mol×K	353.78	Calculated Property
Cp,gas	535.93	J/mol×K	434.56	Calculated Property
Cp,gas	601.65	J/mol×K	515.33	Calculated Property
Cp,gas	659.93	J/mol×K	596.11	Calculated Property
Cp,gas	711.00	J/mol×K	676.89	Calculated Property
Cp,gas	755.09	J/mol×K	757.67	Calculated Property
Cp,gas	792.44	J/mol×K	838.44	Calculated Property
Cp,gas	823.28	J/mol×K	919.22	Calculated Property
Cp,gas	847.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007302; 0.0000826]	Pa×s	[458.66; 701.54]	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			-1.35166e+01
Coefficient B			2.88698e+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.			458.66
Temperature range, max.			701.54
η	0.0007302	Pa×s	458.66	Calculated Property
η	0.0005147	Pa×s	485.65	Calculated Property
η	0.0003764	Pa×s	512.63	Calculated Property
η	0.0002840	Pa×s	539.62	Calculated Property
η	0.0002201	Pa×s	566.61	Calculated Property
η	0.0001746	Pa×s	593.59	Calculated Property
η	0.0001413	Pa×s	620.58	Calculated Property
η	0.0001164	Pa×s	647.57	Calculated Property
η	0.0000974	Pa×s	674.55	Calculated Property
η	0.0000826	Pa×s	701.54	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-chloro-3-methylphenyl hexyl ester.

Sources

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

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