Chemical Properties of Glutaric acid, 2-acetyl-4-chlorophenyl butyl ester

InChI

InChI=1S/C16H19ClO5/c1-2-3-9-21-15(19)5-4-6-16(20)22-14-8-7-13(17)10-12(14)11-18/h7-8,10-11H,2-6,9H2,1H3

InChI Key

NBAOXRVXXDQQFD-UHFFFAOYSA-N

Formula

C16H19ClO5

SMILES

CCCCOC(=O)CCCC(=O)Oc1ccc(Cl)cc1C=O

Molecular Weight¹

326.78

• 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	[343.74; 735.45]	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			5.81460e+01
Coefficient B			1.19762e+00
Coefficient C			-5.67920e-04
Coefficient D			4.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.74	J/mol×K	273.00	Calculated Property
Cp,gas	412.86	J/mol×K	353.78	Calculated Property
Cp,gas	475.24	J/mol×K	434.56	Calculated Property
Cp,gas	531.01	J/mol×K	515.33	Calculated Property
Cp,gas	580.33	J/mol×K	596.11	Calculated Property
Cp,gas	623.36	J/mol×K	676.89	Calculated Property
Cp,gas	660.23	J/mol×K	757.67	Calculated Property
Cp,gas	691.10	J/mol×K	838.44	Calculated Property
Cp,gas	716.12	J/mol×K	919.22	Calculated Property
Cp,gas	735.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008189; 0.0001153]	Pa×s	[478.12; 707.44]	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			-1.31547e+01
Coefficient B			2.89129e+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.			478.12
Temperature range, max.			707.44
η	0.0008189	Pa×s	478.12	Calculated Property
η	0.0006031	Pa×s	503.60	Calculated Property
η	0.0004574	Pa×s	529.08	Calculated Property
η	0.0003558	Pa×s	554.56	Calculated Property
η	0.0002830	Pa×s	580.04	Calculated Property
η	0.0002294	Pa×s	605.52	Calculated Property
η	0.0001892	Pa×s	631.00	Calculated Property
η	0.0001584	Pa×s	656.48	Calculated Property
η	0.0001344	Pa×s	681.96	Calculated Property
η	0.0001153	Pa×s	707.44	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-acetyl-4-chlorophenyl butyl 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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