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

InChI

InChI=1S/C22H25ClO4/c1-3-4-5-6-9-14-26-21(24)18-10-7-8-11-19(18)22(25)27-20-13-12-17(23)15-16(20)2/h7-8,10-13,15H,3-6,9,14H2,1-2H3

InChI Key

MWDVGPIKPOPTAP-UHFFFAOYSA-N

Formula

C22H25ClO4

SMILES

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

Molecular Weight¹

388.88

• 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	[411.40; 932.65]	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			2.16860e+01
Coefficient B			1.65474e+00
Coefficient C			-8.65480e-04
Coefficient D			1.21700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	411.40	J/mol×K	273.00	Calculated Property
Cp,gas	504.16	J/mol×K	353.78	Calculated Property
Cp,gas	587.31	J/mol×K	434.56	Calculated Property
Cp,gas	661.24	J/mol×K	515.33	Calculated Property
Cp,gas	726.33	J/mol×K	596.11	Calculated Property
Cp,gas	782.96	J/mol×K	676.89	Calculated Property
Cp,gas	831.52	J/mol×K	757.67	Calculated Property
Cp,gas	872.40	J/mol×K	838.44	Calculated Property
Cp,gas	905.98	J/mol×K	919.22	Calculated Property
Cp,gas	932.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003389; 0.0000486]	Pa×s	[542.68; 803.74]	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			-1.39707e+01
Coefficient B			3.24578e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			542.68
Temperature range, max.			803.74
η	0.0003389	Pa×s	542.68	Calculated Property
η	0.0002502	Pa×s	571.69	Calculated Property
η	0.0001902	Pa×s	600.69	Calculated Property
η	0.0001483	Pa×s	629.70	Calculated Property
η	0.0001182	Pa×s	658.71	Calculated Property
η	0.0000960	Pa×s	687.72	Calculated Property
η	0.0000793	Pa×s	716.72	Calculated Property
η	0.0000665	Pa×s	745.73	Calculated Property
η	0.0000565	Pa×s	774.74	Calculated Property
η	0.0000486	Pa×s	803.74	Calculated Property

Similar Compounds

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

Sources

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

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