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

InChI

InChI=1S/C14H16Cl2O4/c1-9(2)7-19-13(17)10-5-3-4-6-11(10)14(18)20-8-12(15)16/h3-6,9,12H,7-8H2,1-2H3

InChI Key

NUFGOHVIMDAQNI-UHFFFAOYSA-N

Formula

C14H16Cl2O4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)OCC(Cl)Cl

Molecular Weight¹

319.18

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[306.62; 653.87]	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			4.37920e+01
Coefficient B			1.11124e+00
Coefficient C			-5.59960e-04
Coefficient D			5.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.62	J/mol×K	273.00	Calculated Property
Cp,gas	369.44	J/mol×K	353.78	Calculated Property
Cp,gas	425.77	J/mol×K	434.56	Calculated Property
Cp,gas	475.79	J/mol×K	515.33	Calculated Property
Cp,gas	519.69	J/mol×K	596.11	Calculated Property
Cp,gas	557.65	J/mol×K	676.89	Calculated Property
Cp,gas	589.87	J/mol×K	757.67	Calculated Property
Cp,gas	616.52	J/mol×K	838.44	Calculated Property
Cp,gas	637.79	J/mol×K	919.22	Calculated Property
Cp,gas	653.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015996; 0.0000958]	Pa×s	[400.98; 670.42]	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			-1.34422e+01
Coefficient B			2.80856e+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.			400.98
Temperature range, max.			670.42
η	0.0015996	Pa×s	400.98	Calculated Property
η	0.0009833	Pa×s	430.92	Calculated Property
η	0.0006439	Pa×s	460.86	Calculated Property
η	0.0004440	Pa×s	490.79	Calculated Property
η	0.0003195	Pa×s	520.73	Calculated Property
η	0.0002383	Pa×s	550.67	Calculated Property
η	0.0001832	Pa×s	580.61	Calculated Property
η	0.0001445	Pa×s	610.54	Calculated Property
η	0.0001166	Pa×s	640.48	Calculated Property
η	0.0000958	Pa×s	670.42	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic 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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