Chemical Properties of Glutaric acid, 2-(2,4-dichlorophenyl)ethyl pentyl ester

InChI

InChI=1S/C18H24Cl2O4/c1-2-3-4-11-23-17(21)6-5-7-18(22)24-12-10-14-8-9-15(19)13-16(14)20/h8-9,13H,2-7,10-12H2,1H3

InChI Key

JJBJDRZHEXALKA-UHFFFAOYSA-N

Formula

C18H24Cl2O4

SMILES

CCCCCOC(=O)CCCC(=O)OCCc1ccc(Cl)cc1Cl

Molecular Weight¹

375.29

• 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	[394.66; 856.12]	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			5.78190e+01
Coefficient B			1.41992e+00
Coefficient C			-7.04120e-04
Coefficient D			8.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	394.66	J/mol×K	273.00	Calculated Property
Cp,gas	475.68	J/mol×K	353.78	Calculated Property
Cp,gas	548.66	J/mol×K	434.56	Calculated Property
Cp,gas	613.85	J/mol×K	515.33	Calculated Property
Cp,gas	671.52	J/mol×K	596.11	Calculated Property
Cp,gas	721.92	J/mol×K	676.89	Calculated Property
Cp,gas	765.32	J/mol×K	757.67	Calculated Property
Cp,gas	801.98	J/mol×K	838.44	Calculated Property
Cp,gas	832.16	J/mol×K	919.22	Calculated Property
Cp,gas	856.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005787; 0.0000726]	Pa×s	[488.58; 730.89]	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			-1.37143e+01
Coefficient B			3.05830e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			488.58
Temperature range, max.			730.89
η	0.0005787	Pa×s	488.58	Calculated Property
η	0.0004173	Pa×s	515.50	Calculated Property
η	0.0003109	Pa×s	542.43	Calculated Property
η	0.0002381	Pa×s	569.35	Calculated Property
η	0.0001868	Pa×s	596.27	Calculated Property
η	0.0001497	Pa×s	623.20	Calculated Property
η	0.0001222	Pa×s	650.12	Calculated Property
η	0.0001013	Pa×s	677.05	Calculated Property
η	0.0000852	Pa×s	703.97	Calculated Property
η	0.0000726	Pa×s	730.89	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(2,4-dichlorophenyl)ethyl pentyl 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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