Chemical Properties of Glutaric acid, pentyl 2,3,5,6-tetrachlorophenyl ester

InChI

InChI=1S/C16H18Cl4O4/c1-2-3-4-8-23-12(21)6-5-7-13(22)24-16-14(19)10(17)9-11(18)15(16)20/h9H,2-8H2,1H3

InChI Key

KYQAROCAPZEPJH-UHFFFAOYSA-N

Formula

C16H18Cl4O4

SMILES

CCCCCOC(=O)CCCC(=O)Oc1c(Cl)c(Cl)cc(Cl)c1Cl

Molecular Weight¹

416.13

• 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).
• 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 Pressure, 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	[384.14; 763.40]	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			1.14017e+02
Coefficient B			1.12452e+00
Coefficient C			-5.02040e-04
Coefficient D			2.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	384.14	J/mol×K	273.00	Calculated Property
Cp,gas	450.20	J/mol×K	353.78	Calculated Property
Cp,gas	510.09	J/mol×K	434.56	Calculated Property
Cp,gas	563.88	J/mol×K	515.33	Calculated Property
Cp,gas	611.65	J/mol×K	596.11	Calculated Property
Cp,gas	653.51	J/mol×K	676.89	Calculated Property
Cp,gas	689.53	J/mol×K	757.67	Calculated Property
Cp,gas	719.79	J/mol×K	838.44	Calculated Property
Cp,gas	744.39	J/mol×K	919.22	Calculated Property
Cp,gas	763.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003465; 0.0000710]	Pa×s	[550.92; 765.92]	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			-1.36130e+01
Coefficient B			3.11010e+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.			550.92
Temperature range, max.			765.92
η	0.0003465	Pa×s	550.92	Calculated Property
η	0.0002740	Pa×s	574.81	Calculated Property
η	0.0002208	Pa×s	598.70	Calculated Property
η	0.0001809	Pa×s	622.59	Calculated Property
η	0.0001504	Pa×s	646.48	Calculated Property
η	0.0001267	Pa×s	670.36	Calculated Property
η	0.0001080	Pa×s	694.25	Calculated Property
η	0.0000931	Pa×s	718.14	Calculated Property
η	0.0000810	Pa×s	742.03	Calculated Property
η	0.0000710	Pa×s	765.92	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, pentyl 2,3,5,6-tetrachlorophenyl 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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