Chemical Properties of Glutaric acid, octyl pentachlorophenyl ester

InChI

InChI=1S/C19H23Cl5O4/c1-2-3-4-5-6-7-11-27-12(25)9-8-10-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h2-11H2,1H3

InChI Key

KETKLSXWKIYYMJ-UHFFFAOYSA-N

Formula

C19H23Cl5O4

SMILES

CCCCCCCCOC(=O)CCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

492.65

• 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	[463.74; 923.40]	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			1.38480e+02
Coefficient B			1.35682e+00
Coefficient C			-6.18600e-04
Coefficient D			4.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	463.74	J/mol×K	273.00	Calculated Property
Cp,gas	543.14	J/mol×K	353.78	Calculated Property
Cp,gas	615.11	J/mol×K	434.56	Calculated Property
Cp,gas	679.81	J/mol×K	515.33	Calculated Property
Cp,gas	737.37	J/mol×K	596.11	Calculated Property
Cp,gas	787.95	J/mol×K	676.89	Calculated Property
Cp,gas	831.70	J/mol×K	757.67	Calculated Property
Cp,gas	868.75	J/mol×K	838.44	Calculated Property
Cp,gas	899.27	J/mol×K	919.22	Calculated Property
Cp,gas	923.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001768; 0.0000407]	Pa×s	[627.17; 850.09]	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			-1.42412e+01
Coefficient B			3.51264e+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.			627.17
Temperature range, max.			850.09
η	0.0001768	Pa×s	627.17	Calculated Property
η	0.0001429	Pa×s	651.94	Calculated Property
η	0.0001173	Pa×s	676.71	Calculated Property
η	0.0000977	Pa×s	701.48	Calculated Property
η	0.0000824	Pa×s	726.24	Calculated Property
η	0.0000702	Pa×s	751.01	Calculated Property
η	0.0000605	Pa×s	775.78	Calculated Property
η	0.0000526	Pa×s	800.55	Calculated Property
η	0.0000461	Pa×s	825.32	Calculated Property
η	0.0000407	Pa×s	850.09	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, octyl pentachlorophenyl ester.

Sources

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

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