Chemical Properties of Adipic acid, 2-chloropropyl isobutyl ester

InChI

InChI=1S/C13H23ClO4/c1-10(2)8-17-12(15)6-4-5-7-13(16)18-9-11(3)14/h10-11H,4-9H2,1-3H3

InChI Key

AORGGPWPLAEDGG-UHFFFAOYSA-N

Formula

C13H23ClO4

SMILES

CC(C)COC(=O)CCCCC(=O)OCC(C)Cl

Molecular Weight¹

278.78

• 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	[326.71; 715.58]	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			5.14160e+01
Coefficient B			1.14786e+00
Coefficient C			-5.21000e-04
Coefficient D			3.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.71	J/mol×K	273.00	Calculated Property
Cp,gas	393.95	J/mol×K	353.78	Calculated Property
Cp,gas	454.90	J/mol×K	434.56	Calculated Property
Cp,gas	509.69	J/mol×K	515.33	Calculated Property
Cp,gas	558.43	J/mol×K	596.11	Calculated Property
Cp,gas	601.25	J/mol×K	676.89	Calculated Property
Cp,gas	638.25	J/mol×K	757.67	Calculated Property
Cp,gas	669.56	J/mol×K	838.44	Calculated Property
Cp,gas	695.30	J/mol×K	919.22	Calculated Property
Cp,gas	715.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049275; 0.0001371]	Pa×s	[320.85; 582.07]	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			-1.32946e+01
Coefficient B			2.56092e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			320.85
Temperature range, max.			582.07
η	0.0049275	Pa×s	320.85	Calculated Property
η	0.0025414	Pa×s	349.87	Calculated Property
η	0.0014506	Pa×s	378.90	Calculated Property
η	0.0008968	Pa×s	407.92	Calculated Property
η	0.0005910	Pa×s	436.95	Calculated Property
η	0.0004102	Pa×s	465.97	Calculated Property
η	0.0002972	Pa×s	495.00	Calculated Property
η	0.0002232	Pa×s	524.02	Calculated Property
η	0.0001727	Pa×s	553.05	Calculated Property
η	0.0001371	Pa×s	582.07	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2-chloropropyl isobutyl ester.

Sources

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

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