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

InChI

InChI=1S/C23H34Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-28-22(26)19-15-12-13-16-20(19)23(27)29-18-21(24)25/h12-13,15-16,21H,2-11,14,17-18H2,1H3

InChI Key

UMLKZQZCQZHFGI-UHFFFAOYSA-N

Formula

C23H34Cl2O4

SMILES

CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(Cl)Cl

Molecular Weight¹

445.42

• 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).
• 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, Ionization energy 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	[497.86; 1117.65]	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			3.72930e+01
Coefficient B			1.96032e+00
Coefficient C			-1.04636e-03
Coefficient D			1.66400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	497.86	J/mol×K	273.00	Calculated Property
Cp,gas	607.22	J/mol×K	353.78	Calculated Property
Cp,gas	705.22	J/mol×K	434.56	Calculated Property
Cp,gas	792.40	J/mol×K	515.33	Calculated Property
Cp,gas	869.29	J/mol×K	596.11	Calculated Property
Cp,gas	936.40	J/mol×K	676.89	Calculated Property
Cp,gas	994.26	J/mol×K	757.67	Calculated Property
Cp,gas	1043.41	J/mol×K	838.44	Calculated Property
Cp,gas	1084.37	J/mol×K	919.22	Calculated Property
Cp,gas	1117.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004209; 0.0000330]	Pa×s	[517.41; 813.51]	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			-1.47660e+01
Coefficient B			3.61818e+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.			517.41
Temperature range, max.			813.51
η	0.0004209	Pa×s	517.41	Calculated Property
η	0.0002771	Pa×s	550.31	Calculated Property
η	0.0001912	Pa×s	583.21	Calculated Property
η	0.0001373	Pa×s	616.11	Calculated Property
η	0.0001020	Pa×s	649.01	Calculated Property
η	0.0000779	Pa×s	681.91	Calculated Property
η	0.0000610	Pa×s	714.81	Calculated Property
η	0.0000488	Pa×s	747.71	Calculated Property
η	0.0000398	Pa×s	780.61	Calculated Property
η	0.0000330	Pa×s	813.51	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,2-dichloroethyl tridecyl ester.

Sources

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

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