Chemical Properties of Terephthalic acid, 2-chloropropyl isohexyl ester

InChI

InChI=1S/C17H23ClO4/c1-12(2)5-4-10-21-16(19)14-6-8-15(9-7-14)17(20)22-11-13(3)18/h6-9,12-13H,4-5,10-11H2,1-3H3

InChI Key

HVDWJPLMXLZPFX-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

CC(C)CCCOC(=O)c1ccc(C(=O)OCC(C)Cl)cc1

Molecular Weight¹

326.81

• 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	[356.86; 800.37]	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			2.81740e+01
Coefficient B			1.38946e+00
Coefficient C			-7.02760e-04
Coefficient D			8.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.86	J/mol×K	273.00	Calculated Property
Cp,gas	435.56	J/mol×K	353.78	Calculated Property
Cp,gas	506.28	J/mol×K	434.56	Calculated Property
Cp,gas	569.28	J/mol×K	515.33	Calculated Property
Cp,gas	624.83	J/mol×K	596.11	Calculated Property
Cp,gas	673.21	J/mol×K	676.89	Calculated Property
Cp,gas	714.68	J/mol×K	757.67	Calculated Property
Cp,gas	749.52	J/mol×K	838.44	Calculated Property
Cp,gas	777.99	J/mol×K	919.22	Calculated Property
Cp,gas	800.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014883; 0.0000779]	Pa×s	[404.87; 685.12]	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			-1.37216e+01
Coefficient B			2.91972e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			404.87
Temperature range, max.			685.12
η	0.0014883	Pa×s	404.87	Calculated Property
η	0.0008893	Pa×s	436.01	Calculated Property
η	0.0005691	Pa×s	467.15	Calculated Property
η	0.0003851	Pa×s	498.29	Calculated Property
η	0.0002728	Pa×s	529.42	Calculated Property
η	0.0002008	Pa×s	560.56	Calculated Property
η	0.0001527	Pa×s	591.70	Calculated Property
η	0.0001193	Pa×s	622.84	Calculated Property
η	0.0000954	Pa×s	653.98	Calculated Property
η	0.0000779	Pa×s	685.12	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-chloropropyl isohexyl ester.

Sources

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

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