Chemical Properties of Phthalic acid, 4-chloro-2-methylphenyl hexyl ester

InChI

InChI=1S/C21H23ClO4/c1-3-4-5-8-13-25-20(23)17-9-6-7-10-18(17)21(24)26-19-12-11-16(22)14-15(19)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3

InChI Key

KMLUVXPBRUGZOL-UHFFFAOYSA-N

Formula

C21H23ClO4

SMILES

CCCCCCOC(=O)c1ccccc1C(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

374.86

• 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	[390.19; 881.05]	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			2.25950e+01
Coefficient B			1.55974e+00
Coefficient C			-8.11080e-04
Coefficient D			1.09800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	390.19	J/mol×K	273.00	Calculated Property
Cp,gas	477.74	J/mol×K	353.78	Calculated Property
Cp,gas	556.24	J/mol×K	434.56	Calculated Property
Cp,gas	626.01	J/mol×K	515.33	Calculated Property
Cp,gas	687.42	J/mol×K	596.11	Calculated Property
Cp,gas	740.80	J/mol×K	676.89	Calculated Property
Cp,gas	786.51	J/mol×K	757.67	Calculated Property
Cp,gas	824.89	J/mol×K	838.44	Calculated Property
Cp,gas	856.29	J/mol×K	919.22	Calculated Property
Cp,gas	881.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003791; 0.0000549]	Pa×s	[531.41; 788.11]	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			-1.38084e+01
Coefficient B			3.15162e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			531.41
Temperature range, max.			788.11
η	0.0003791	Pa×s	531.41	Calculated Property
η	0.0002802	Pa×s	559.93	Calculated Property
η	0.0002133	Pa×s	588.45	Calculated Property
η	0.0001665	Pa×s	616.98	Calculated Property
η	0.0001329	Pa×s	645.50	Calculated Property
η	0.0001081	Pa×s	674.02	Calculated Property
η	0.0000894	Pa×s	702.54	Calculated Property
η	0.0000750	Pa×s	731.06	Calculated Property
η	0.0000638	Pa×s	759.59	Calculated Property
η	0.0000549	Pa×s	788.11	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 4-chloro-2-methylphenyl hexyl ester.

Sources

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

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