Chemical Properties of Phthalic acid, 2-(4-chlorophenyl)ethyl hexyl ester

InChI

InChI=1S/C22H25ClO4/c1-2-3-4-7-15-26-21(24)19-8-5-6-9-20(19)22(25)27-16-14-17-10-12-18(23)13-11-17/h5-6,8-13H,2-4,7,14-16H2,1H3

InChI Key

ADCXRAVTKSOKSJ-UHFFFAOYSA-N

Formula

C22H25ClO4

SMILES

CCCCCCOC(=O)c1ccccc1C(=O)OCCc1ccc(Cl)cc1

Molecular Weight¹

388.89

• 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	[408.85; 935.69]	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			7.38700e+00
Coefficient B			1.71422e+00
Coefficient C			-9.32520e-04
Coefficient D			1.46600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	408.85	J/mol×K	273.00	Calculated Property
Cp,gas	503.62	J/mol×K	353.78	Calculated Property
Cp,gas	588.25	J/mol×K	434.56	Calculated Property
Cp,gas	663.20	J/mol×K	515.33	Calculated Property
Cp,gas	728.94	J/mol×K	596.11	Calculated Property
Cp,gas	785.93	J/mol×K	676.89	Calculated Property
Cp,gas	834.64	J/mol×K	757.67	Calculated Property
Cp,gas	875.52	J/mol×K	838.44	Calculated Property
Cp,gas	909.05	J/mol×K	919.22	Calculated Property
Cp,gas	935.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003914; 0.0000481]	Pa×s	[530.16; 799.69]	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			-1.40647e+01
Coefficient B			3.29704e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			530.16
Temperature range, max.			799.69
η	0.0003914	Pa×s	530.16	Calculated Property
η	0.0002807	Pa×s	560.11	Calculated Property
η	0.0002082	Pa×s	590.06	Calculated Property
η	0.0001589	Pa×s	620.00	Calculated Property
η	0.0001244	Pa×s	649.95	Calculated Property
η	0.0000995	Pa×s	679.90	Calculated Property
η	0.0000811	Pa×s	709.85	Calculated Property
η	0.0000672	Pa×s	739.79	Calculated Property
η	0.0000565	Pa×s	769.74	Calculated Property
η	0.0000481	Pa×s	799.69	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(4-chlorophenyl)ethyl hexyl ester.

Sources

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

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