Chemical Properties of Phthalic acid, 2-(4-chlorophenoxy)ethyl nonyl ester

InChI

InChI=1S/C25H31ClO5/c1-2-3-4-5-6-7-12-17-30-24(27)20-13-8-9-14-21(20)25(28)31-19-18-29-23-16-11-10-15-22(23)26/h8-11,13-16H,2-7,12,17-19H2,1H3

InChI Key

OBSWCRQOWUSOBY-UHFFFAOYSA-N

Formula

C25H31ClO5

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCOc1ccccc1Cl

Molecular Weight¹

446.96

• 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	[487.90; 1108.96]	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			3.01600e+01
Coefficient B			1.93602e+00
Coefficient C			-9.84720e-04
Coefficient D			1.27500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	487.90	J/mol×K	273.00	Calculated Property
Cp,gas	597.48	J/mol×K	353.78	Calculated Property
Cp,gas	695.98	J/mol×K	434.56	Calculated Property
Cp,gas	783.79	J/mol×K	515.33	Calculated Property
Cp,gas	861.33	J/mol×K	596.11	Calculated Property
Cp,gas	929.00	J/mol×K	676.89	Calculated Property
Cp,gas	987.19	J/mol×K	757.67	Calculated Property
Cp,gas	1036.31	J/mol×K	838.44	Calculated Property
Cp,gas	1076.77	J/mol×K	919.22	Calculated Property
Cp,gas	1108.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001852; 0.0000239]	Pa×s	[586.20; 867.77]	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			-1.49085e+01
Coefficient B			3.70161e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			586.20
Temperature range, max.			867.77
η	0.0001852	Pa×s	586.20	Calculated Property
η	0.0001345	Pa×s	617.49	Calculated Property
η	0.0001007	Pa×s	648.77	Calculated Property
η	0.0000775	Pa×s	680.06	Calculated Property
η	0.0000610	Pa×s	711.34	Calculated Property
η	0.0000490	Pa×s	742.63	Calculated Property
η	0.0000400	Pa×s	773.91	Calculated Property
η	0.0000333	Pa×s	805.20	Calculated Property
η	0.0000280	Pa×s	836.48	Calculated Property
η	0.0000239	Pa×s	867.77	Calculated Property

Similar Compounds

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

Sources

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

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