Chemical Properties of Terephthalic acid, di(2,2-dichloroethyl) ester

InChI

InChI=1S/C12H10Cl4O4/c13-9(14)5-19-11(17)7-1-2-8(4-3-7)12(18)20-6-10(15)16/h1-4,9-10H,5-6H2

InChI Key

CGYYTTZDBWJDMS-UHFFFAOYSA-N

Formula

C12H10Cl4O4

SMILES

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

Molecular Weight¹

360.02

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[291.01; 567.23]	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			7.13920e+01
Coefficient B			9.34800e-01
Coefficient C			-4.91960e-04
Coefficient D			5.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.01	J/mol×K	273.00	Calculated Property
Cp,gas	342.88	J/mol×K	353.78	Calculated Property
Cp,gas	389.06	J/mol×K	434.56	Calculated Property
Cp,gas	429.73	J/mol×K	515.33	Calculated Property
Cp,gas	465.05	J/mol×K	596.11	Calculated Property
Cp,gas	495.18	J/mol×K	676.89	Calculated Property
Cp,gas	520.30	J/mol×K	757.67	Calculated Property
Cp,gas	540.57	J/mol×K	838.44	Calculated Property
Cp,gas	556.16	J/mol×K	919.22	Calculated Property
Cp,gas	567.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011690; 0.0000937]	Pa×s	[438.28; 699.42]	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			-1.35118e+01
Coefficient B			2.96288e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			438.28
Temperature range, max.			699.42
η	0.0011690	Pa×s	438.28	Calculated Property
η	0.0007683	Pa×s	467.30	Calculated Property
η	0.0005303	Pa×s	496.31	Calculated Property
η	0.0003814	Pa×s	525.33	Calculated Property
η	0.0002839	Pa×s	554.34	Calculated Property
η	0.0002176	Pa×s	583.36	Calculated Property
η	0.0001711	Pa×s	612.38	Calculated Property
η	0.0001374	Pa×s	641.39	Calculated Property
η	0.0001125	Pa×s	670.41	Calculated Property
η	0.0000937	Pa×s	699.42	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(2,2-dichloroethyl) ester.

Sources

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

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