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

InChI

InChI=1S/C17H22Cl2O4/c1-2-3-10-22-16(20)5-4-6-17(21)23-11-9-13-7-8-14(18)12-15(13)19/h7-8,12H,2-6,9-11H2,1H3

InChI Key

LXUZVIPFEHISGT-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

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

Molecular Weight¹

361.26

• 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	[373.44; 804.53]	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			5.87280e+01
Coefficient B			1.32492e+00
Coefficient C			-6.49720e-04
Coefficient D			7.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.44	J/mol×K	273.00	Calculated Property
Cp,gas	449.26	J/mol×K	353.78	Calculated Property
Cp,gas	517.58	J/mol×K	434.56	Calculated Property
Cp,gas	578.62	J/mol×K	515.33	Calculated Property
Cp,gas	632.61	J/mol×K	596.11	Calculated Property
Cp,gas	679.76	J/mol×K	676.89	Calculated Property
Cp,gas	720.31	J/mol×K	757.67	Calculated Property
Cp,gas	754.47	J/mol×K	838.44	Calculated Property
Cp,gas	782.47	J/mol×K	919.22	Calculated Property
Cp,gas	804.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006469; 0.0000820]	Pa×s	[477.31; 715.11]	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			-1.35534e+01
Coefficient B			2.96414e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			477.31
Temperature range, max.			715.11
η	0.0006469	Pa×s	477.31	Calculated Property
η	0.0004671	Pa×s	503.73	Calculated Property
η	0.0003484	Pa×s	530.15	Calculated Property
η	0.0002671	Pa×s	556.58	Calculated Property
η	0.0002099	Pa×s	583.00	Calculated Property
η	0.0001683	Pa×s	609.42	Calculated Property
η	0.0001375	Pa×s	635.84	Calculated Property
η	0.0001142	Pa×s	662.26	Calculated Property
η	0.0000962	Pa×s	688.69	Calculated Property
η	0.0000820	Pa×s	715.11	Calculated Property

Similar Compounds

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