Chemical Properties of Isophthalic acid, 2-chloro-5-methylphenyl pentyl ester

InChI

InChI=1S/C20H21ClO4/c1-3-4-5-11-24-19(22)15-7-6-8-16(13-15)20(23)25-18-12-14(2)9-10-17(18)21/h6-10,12-13H,3-5,11H2,1-2H3

InChI Key

QJFXRWOXINUDMB-UHFFFAOYSA-N

Formula

C20H21ClO4

SMILES

CCCCCOC(=O)c1cccc(C(=O)Oc2cc(C)ccc2Cl)c1

Molecular Weight¹

360.84

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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 Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[368.98; 829.46]	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			2.35040e+01
Coefficient B			1.46474e+00
Coefficient C			-7.56680e-04
Coefficient D			9.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.98	J/mol×K	273.00	Calculated Property
Cp,gas	451.33	J/mol×K	353.78	Calculated Property
Cp,gas	525.16	J/mol×K	434.56	Calculated Property
Cp,gas	590.78	J/mol×K	515.33	Calculated Property
Cp,gas	648.50	J/mol×K	596.11	Calculated Property
Cp,gas	698.64	J/mol×K	676.89	Calculated Property
Cp,gas	741.49	J/mol×K	757.67	Calculated Property
Cp,gas	777.37	J/mol×K	838.44	Calculated Property
Cp,gas	806.59	J/mol×K	919.22	Calculated Property
Cp,gas	829.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004225; 0.0000618]	Pa×s	[520.14; 773.00]	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			-1.36476e+01
Coefficient B			3.05746e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			520.14
Temperature range, max.			773.00
η	0.0004225	Pa×s	520.14	Calculated Property
η	0.0003126	Pa×s	548.24	Calculated Property
η	0.0002382	Pa×s	576.33	Calculated Property
η	0.0001861	Pa×s	604.43	Calculated Property
η	0.0001487	Pa×s	632.52	Calculated Property
η	0.0001210	Pa×s	660.62	Calculated Property
η	0.0001002	Pa×s	688.71	Calculated Property
η	0.0000842	Pa×s	716.81	Calculated Property
η	0.0000717	Pa×s	744.90	Calculated Property
η	0.0000618	Pa×s	773.00	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-chloro-5-methylphenyl pentyl ester.

Sources

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

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