Chemical Properties of Phthalic acid, 2-(3-chlorophenyl)ethyl pentyl ester

InChI

InChI=1S/C21H23ClO4/c1-2-3-6-13-25-20(23)18-10-4-5-11-19(18)21(24)26-14-12-16-8-7-9-17(22)15-16/h4-5,7-11,15H,2-3,6,12-14H2,1H3

InChI Key

SQTOJDZSDXHUBT-UHFFFAOYSA-N

Formula

C21H23ClO4

SMILES

CCCCCOC(=O)c1ccccc1C(=O)OCCc1cccc(Cl)c1

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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.64; 884.10]	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			8.29600e+00
Coefficient B			1.61922e+00
Coefficient C			-8.78120e-04
Coefficient D			1.34700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.64	J/mol×K	273.00	Calculated Property
Cp,gas	477.20	J/mol×K	353.78	Calculated Property
Cp,gas	557.17	J/mol×K	434.56	Calculated Property
Cp,gas	627.97	J/mol×K	515.33	Calculated Property
Cp,gas	690.03	J/mol×K	596.11	Calculated Property
Cp,gas	743.77	J/mol×K	676.89	Calculated Property
Cp,gas	789.62	J/mol×K	757.67	Calculated Property
Cp,gas	828.01	J/mol×K	838.44	Calculated Property
Cp,gas	859.36	J/mol×K	919.22	Calculated Property
Cp,gas	884.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004395; 0.0000545]	Pa×s	[518.89; 784.08]	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			-1.39024e+01
Coefficient B			3.20288e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			518.89
Temperature range, max.			784.08
η	0.0004395	Pa×s	518.89	Calculated Property
η	0.0003154	Pa×s	548.36	Calculated Property
η	0.0002342	Pa×s	577.82	Calculated Property
η	0.0001790	Pa×s	607.29	Calculated Property
η	0.0001402	Pa×s	636.75	Calculated Property
η	0.0001122	Pa×s	666.22	Calculated Property
η	0.0000916	Pa×s	695.68	Calculated Property
η	0.0000759	Pa×s	725.15	Calculated Property
η	0.0000639	Pa×s	754.61	Calculated Property
η	0.0000545	Pa×s	784.08	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(3-chlorophenyl)ethyl pentyl ester.

Sources

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

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