Chemical Properties of Adipic acid, butyl 2,2-dichloroethyl ester

InChI

InChI=1S/C12H20Cl2O4/c1-2-3-8-17-11(15)6-4-5-7-12(16)18-9-10(13)14/h10H,2-9H2,1H3

InChI Key

WPZHGSORAKWVNX-UHFFFAOYSA-N

Formula

C12H20Cl2O4

SMILES

CCCCOC(=O)CCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

299.19

• 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	[319.22; 671.72]	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			6.68980e+01
Coefficient B			1.05372e+00
Coefficient C			-4.83800e-04
Coefficient D			3.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.22	J/mol×K	273.00	Calculated Property
Cp,gas	380.67	J/mol×K	353.78	Calculated Property
Cp,gas	436.30	J/mol×K	434.56	Calculated Property
Cp,gas	486.21	J/mol×K	515.33	Calculated Property
Cp,gas	530.51	J/mol×K	596.11	Calculated Property
Cp,gas	569.31	J/mol×K	676.89	Calculated Property
Cp,gas	602.72	J/mol×K	757.67	Calculated Property
Cp,gas	630.85	J/mol×K	838.44	Calculated Property
Cp,gas	653.81	J/mol×K	919.22	Calculated Property
Cp,gas	671.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028802; 0.0001491]	Pa×s	[354.50; 594.45]	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			-1.31849e+01
Coefficient B			2.60026e+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.			354.50
Temperature range, max.			594.45
η	0.0028802	Pa×s	354.50	Calculated Property
η	0.0017242	Pa×s	381.16	Calculated Property
η	0.0011038	Pa×s	407.82	Calculated Property
η	0.0007464	Pa×s	434.48	Calculated Property
η	0.0005281	Pa×s	461.15	Calculated Property
η	0.0003880	Pa×s	487.81	Calculated Property
η	0.0002944	Pa×s	514.47	Calculated Property
η	0.0002295	Pa×s	541.13	Calculated Property
η	0.0001831	Pa×s	567.79	Calculated Property
η	0.0001491	Pa×s	594.45	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, butyl 2,2-dichloroethyl ester.

Sources

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

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