Chemical Properties of Glutaric acid, 2-methyl-4-chlorophenyl octyl ester

InChI

InChI=1S/C20H29ClO4/c1-3-4-5-6-7-8-14-24-19(22)10-9-11-20(23)25-18-13-12-17(21)15-16(18)2/h12-13,15H,3-11,14H2,1-2H3

InChI Key

ZBXANPSNXLTHEY-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCCCCCCOC(=O)CCCC(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

368.90

• 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	[423.68; 951.03]	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			4.31100e+01
Coefficient B			1.60314e+00
Coefficient C			-7.92520e-04
Coefficient D			9.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	423.68	J/mol×K	273.00	Calculated Property
Cp,gas	515.38	J/mol×K	353.78	Calculated Property
Cp,gas	598.09	J/mol×K	434.56	Calculated Property
Cp,gas	672.11	J/mol×K	515.33	Calculated Property
Cp,gas	737.75	J/mol×K	596.11	Calculated Property
Cp,gas	795.32	J/mol×K	676.89	Calculated Property
Cp,gas	845.12	J/mol×K	757.67	Calculated Property
Cp,gas	887.47	J/mol×K	838.44	Calculated Property
Cp,gas	922.67	J/mol×K	919.22	Calculated Property
Cp,gas	951.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005846; 0.0000647]	Pa×s	[481.20; 733.94]	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			-1.38355e+01
Coefficient B			3.07530e+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.			481.20
Temperature range, max.			733.94
η	0.0005846	Pa×s	481.20	Calculated Property
η	0.0004110	Pa×s	509.28	Calculated Property
η	0.0002998	Pa×s	537.36	Calculated Property
η	0.0002256	Pa×s	565.45	Calculated Property
η	0.0001744	Pa×s	593.53	Calculated Property
η	0.0001380	Pa×s	621.61	Calculated Property
η	0.0001114	Pa×s	649.69	Calculated Property
η	0.0000916	Pa×s	677.78	Calculated Property
η	0.0000765	Pa×s	705.86	Calculated Property
η	0.0000647	Pa×s	733.94	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methyl-4-chlorophenyl octyl ester.

Sources

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

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