Chemical Properties of Glutaric acid, butyl 2,6-dichlorophenyl ester

InChI

InChI=1S/C15H18Cl2O4/c1-2-3-10-20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h4,6-7H,2-3,5,8-10H2,1H3

InChI Key

NSCWKJVJQZKOCN-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

CCCCOC(=O)CCCC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

333.21

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.02; 701.35]	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			6.05460e+01
Coefficient B			1.13492e+00
Coefficient C			-5.40920e-04
Coefficient D			4.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.02	J/mol×K	273.00	Calculated Property
Cp,gas	396.43	J/mol×K	353.78	Calculated Property
Cp,gas	455.43	J/mol×K	434.56	Calculated Property
Cp,gas	508.16	J/mol×K	515.33	Calculated Property
Cp,gas	554.78	J/mol×K	596.11	Calculated Property
Cp,gas	595.44	J/mol×K	676.89	Calculated Property
Cp,gas	630.27	J/mol×K	757.67	Calculated Property
Cp,gas	659.44	J/mol×K	838.44	Calculated Property
Cp,gas	683.08	J/mol×K	919.22	Calculated Property
Cp,gas	701.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007988; 0.0001028]	Pa×s	[454.77; 684.84]	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			-1.32362e+01
Coefficient B			2.77582e+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.			454.77
Temperature range, max.			684.84
η	0.0007988	Pa×s	454.77	Calculated Property
η	0.0005772	Pa×s	480.33	Calculated Property
η	0.0004310	Pa×s	505.90	Calculated Property
η	0.0003311	Pa×s	531.46	Calculated Property
η	0.0002605	Pa×s	557.02	Calculated Property
η	0.0002093	Pa×s	582.59	Calculated Property
η	0.0001713	Pa×s	608.15	Calculated Property
η	0.0001425	Pa×s	633.71	Calculated Property
η	0.0001203	Pa×s	659.27	Calculated Property
η	0.0001028	Pa×s	684.84	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 2,6-dichlorophenyl ester.

Sources

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

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