Chemical Properties of Malonic acid, 2,2-dichloroethyl isobutyl ester

InChI

InChI=1S/C9H14Cl2O4/c1-6(2)4-14-8(12)3-9(13)15-5-7(10)11/h6-7H,3-5H2,1-2H3

InChI Key

ZAUJNOGWWYTMRR-UHFFFAOYSA-N

Formula

C9H14Cl2O4

SMILES

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

Molecular Weight¹

257.11

• 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	[255.26; 517.48]	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			6.79430e+01
Coefficient B			7.74640e-01
Coefficient C			-3.23800e-04
Coefficient D			-1.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.26	J/mol×K	273.00	Calculated Property
Cp,gas	301.41	J/mol×K	353.78	Calculated Property
Cp,gas	343.31	J/mol×K	434.56	Calculated Property
Cp,gas	380.97	J/mol×K	515.33	Calculated Property
Cp,gas	414.38	J/mol×K	596.11	Calculated Property
Cp,gas	443.53	J/mol×K	676.89	Calculated Property
Cp,gas	468.42	J/mol×K	757.67	Calculated Property
Cp,gas	489.04	J/mol×K	838.44	Calculated Property
Cp,gas	505.40	J/mol×K	919.22	Calculated Property
Cp,gas	517.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056980; 0.0001828]	Pa×s	[305.69; 552.16]	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			-1.28735e+01
Coefficient B			2.35560e+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.			305.69
Temperature range, max.			552.16
η	0.0056980	Pa×s	305.69	Calculated Property
η	0.0030239	Pa×s	333.08	Calculated Property
η	0.0017669	Pa×s	360.46	Calculated Property
η	0.0011138	Pa×s	387.85	Calculated Property
η	0.0007462	Pa×s	415.23	Calculated Property
η	0.0005253	Pa×s	442.62	Calculated Property
η	0.0003853	Pa×s	470.00	Calculated Property
η	0.0002923	Pa×s	497.39	Calculated Property
η	0.0002283	Pa×s	524.78	Calculated Property
η	0.0001828	Pa×s	552.16	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 2,2-dichloroethyl isobutyl ester.

Sources

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

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