Chemical Properties of Glutaric acid, butyl 3-chlorobenzyl ester

InChI

InChI=1S/C16H21ClO4/c1-2-3-10-20-15(18)8-5-9-16(19)21-12-13-6-4-7-14(17)11-13/h4,6-7,11H,2-3,5,8-10,12H2,1H3

InChI Key

LBGIIAFIGCZPNN-UHFFFAOYSA-N

Formula

C16H21ClO4

SMILES

CCCCOC(=O)CCCC(=O)OCc1cccc(Cl)c1

Molecular Weight¹

312.79

• 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	[336.28; 747.71]	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			3.24470e+01
Coefficient B			1.28262e+00
Coefficient C			-6.41960e-04
Coefficient D			7.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	336.28	J/mol×K	273.00	Calculated Property
Cp,gas	409.17	J/mol×K	353.78	Calculated Property
Cp,gas	474.71	J/mol×K	434.56	Calculated Property
Cp,gas	533.15	J/mol×K	515.33	Calculated Property
Cp,gas	584.71	J/mol×K	596.11	Calculated Property
Cp,gas	629.64	J/mol×K	676.89	Calculated Property
Cp,gas	668.17	J/mol×K	757.67	Calculated Property
Cp,gas	700.53	J/mol×K	838.44	Calculated Property
Cp,gas	726.97	J/mol×K	919.22	Calculated Property
Cp,gas	747.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011064; 0.0001036]	Pa×s	[423.60; 666.83]	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			-1.32985e+01
Coefficient B			2.74992e+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.			423.60
Temperature range, max.			666.83
η	0.0011064	Pa×s	423.60	Calculated Property
η	0.0007496	Pa×s	450.63	Calculated Property
η	0.0005307	Pa×s	477.65	Calculated Property
η	0.0003899	Pa×s	504.68	Calculated Property
η	0.0002956	Pa×s	531.70	Calculated Property
η	0.0002302	Pa×s	558.73	Calculated Property
η	0.0001834	Pa×s	585.75	Calculated Property
η	0.0001491	Pa×s	612.78	Calculated Property
η	0.0001234	Pa×s	639.80	Calculated Property
η	0.0001036	Pa×s	666.83	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 3-chlorobenzyl ester.

Sources

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

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