Chemical Properties of Terephthalic acid, 2,2-dichloroethyl heptyl ester

InChI

InChI=1S/C17H22Cl2O4/c1-2-3-4-5-6-11-22-16(20)13-7-9-14(10-8-13)17(21)23-12-15(18)19/h7-10,15H,2-6,11-12H2,1H3

InChI Key

ABGGPJXFOZFNSE-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OCC(Cl)Cl)cc1

Molecular Weight¹

361.26

• 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	[370.58; 808.11]	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			4.27470e+01
Coefficient B			1.39032e+00
Coefficient C			-7.19960e-04
Coefficient D			9.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.58	J/mol×K	273.00	Calculated Property
Cp,gas	448.71	J/mol×K	353.78	Calculated Property
Cp,gas	518.76	J/mol×K	434.56	Calculated Property
Cp,gas	581.03	J/mol×K	515.33	Calculated Property
Cp,gas	635.82	J/mol×K	596.11	Calculated Property
Cp,gas	683.43	J/mol×K	676.89	Calculated Property
Cp,gas	724.17	J/mol×K	757.67	Calculated Property
Cp,gas	758.32	J/mol×K	838.44	Calculated Property
Cp,gas	786.20	J/mol×K	919.22	Calculated Property
Cp,gas	808.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009180; 0.0000752]	Pa×s	[449.79; 712.46]	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			-1.37814e+01
Coefficient B			3.05322e+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.			449.79
Temperature range, max.			712.46
η	0.0009180	Pa×s	449.79	Calculated Property
η	0.0006070	Pa×s	478.98	Calculated Property
η	0.0004209	Pa×s	508.16	Calculated Property
η	0.0003037	Pa×s	537.35	Calculated Property
η	0.0002267	Pa×s	566.53	Calculated Property
η	0.0001741	Pa×s	595.72	Calculated Property
η	0.0001370	Pa×s	624.90	Calculated Property
η	0.0001102	Pa×s	654.09	Calculated Property
η	0.0000903	Pa×s	683.27	Calculated Property
η	0.0000752	Pa×s	712.46	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2-dichloroethyl heptyl ester.

Sources

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

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