Chemical Properties of Adipic acid, di(2-chloropropyl) ester

InChI

InChI=1S/C12H20Cl2O4/c1-9(13)7-17-11(15)5-3-4-6-12(16)18-8-10(2)14/h9-10H,3-8H2,1-2H3

InChI Key

DINLBXUNHXSUJJ-UHFFFAOYSA-N

Formula

C12H20Cl2O4

SMILES

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

Molecular Weight¹

299.19

• 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).
• 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 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	[318.90; 672.26]	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			6.52160e+01
Coefficient B			1.05964e+00
Coefficient C			-4.87000e-04
Coefficient D			3.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.90	J/mol×K	273.00	Calculated Property
Cp,gas	380.66	J/mol×K	353.78	Calculated Property
Cp,gas	436.55	J/mol×K	434.56	Calculated Property
Cp,gas	486.66	J/mol×K	515.33	Calculated Property
Cp,gas	531.11	J/mol×K	596.11	Calculated Property
Cp,gas	570.01	J/mol×K	676.89	Calculated Property
Cp,gas	603.47	J/mol×K	757.67	Calculated Property
Cp,gas	631.59	J/mol×K	838.44	Calculated Property
Cp,gas	654.48	J/mol×K	919.22	Calculated Property
Cp,gas	672.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038936; 0.0001373]	Pa×s	[339.50; 596.14]	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			-1.33189e+01
Coefficient B			2.63808e+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.			339.50
Temperature range, max.			596.14
η	0.0038936	Pa×s	339.50	Calculated Property
η	0.0021324	Pa×s	368.02	Calculated Property
η	0.0012735	Pa×s	396.53	Calculated Property
η	0.0008150	Pa×s	425.05	Calculated Property
η	0.0005517	Pa×s	453.56	Calculated Property
η	0.0003911	Pa×s	482.08	Calculated Property
η	0.0002881	Pa×s	510.59	Calculated Property
η	0.0002192	Pa×s	539.11	Calculated Property
η	0.0001714	Pa×s	567.62	Calculated Property
η	0.0001373	Pa×s	596.14	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, di(2-chloropropyl) ester.

Sources

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

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