Chemical Properties of Isophthalic acid, 3,5-dichlorophenyl heptyl ester

InChI

InChI=1S/C21H22Cl2O4/c1-2-3-4-5-6-10-26-20(24)15-8-7-9-16(11-15)21(25)27-19-13-17(22)12-18(23)14-19/h7-9,11-14H,2-6,10H2,1H3

InChI Key

GKMGNDKPFMDPIP-UHFFFAOYSA-N

Formula

C21H22Cl2O4

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc(Cl)cc(Cl)c2)c1

Molecular Weight¹

409.31

• 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	[403.59; 889.33]	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			3.54860e+01
Coefficient B			1.56652e+00
Coefficient C			-8.31480e-04
Coefficient D			1.18800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.59	J/mol×K	273.00	Calculated Property
Cp,gas	490.88	J/mol×K	353.78	Calculated Property
Cp,gas	568.96	J/mol×K	434.56	Calculated Property
Cp,gas	638.21	J/mol×K	515.33	Calculated Property
Cp,gas	699.01	J/mol×K	596.11	Calculated Property
Cp,gas	751.72	J/mol×K	676.89	Calculated Property
Cp,gas	796.74	J/mol×K	757.67	Calculated Property
Cp,gas	834.43	J/mol×K	838.44	Calculated Property
Cp,gas	865.16	J/mol×K	919.22	Calculated Property
Cp,gas	889.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003051; 0.0000478]	Pa×s	[561.33; 817.17]	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			-1.40145e+01
Coefficient B			3.32294e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			561.33
Temperature range, max.			817.17
η	0.0003051	Pa×s	561.33	Calculated Property
η	0.0002294	Pa×s	589.76	Calculated Property
η	0.0001770	Pa×s	618.18	Calculated Property
η	0.0001398	Pa×s	646.61	Calculated Property
η	0.0001126	Pa×s	675.04	Calculated Property
η	0.0000923	Pa×s	703.46	Calculated Property
η	0.0000768	Pa×s	731.89	Calculated Property
η	0.0000648	Pa×s	760.31	Calculated Property
η	0.0000554	Pa×s	788.74	Calculated Property
η	0.0000478	Pa×s	817.17	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,5-dichlorophenyl heptyl ester.

Sources

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

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