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

InChI

InChI=1S/C20H28Cl2O4/c1-2-3-4-5-6-7-8-9-14-25-19(23)16-10-12-17(13-11-16)20(24)26-15-18(21)22/h10-13,18H,2-9,14-15H2,1H3

InChI Key

GOZUFXQUSQRGOK-UHFFFAOYSA-N

Formula

C20H28Cl2O4

SMILES

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

Molecular Weight¹

403.34

• 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	[434.22; 962.88]	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			4.00200e+01
Coefficient B			1.67532e+00
Coefficient C			-8.83160e-04
Coefficient D			1.30700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	434.22	J/mol×K	273.00	Calculated Property
Cp,gas	527.96	J/mol×K	353.78	Calculated Property
Cp,gas	611.99	J/mol×K	434.56	Calculated Property
Cp,gas	686.72	J/mol×K	515.33	Calculated Property
Cp,gas	752.55	J/mol×K	596.11	Calculated Property
Cp,gas	809.92	J/mol×K	676.89	Calculated Property
Cp,gas	859.22	J/mol×K	757.67	Calculated Property
Cp,gas	900.87	J/mol×K	838.44	Calculated Property
Cp,gas	935.28	J/mol×K	919.22	Calculated Property
Cp,gas	962.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006295; 0.0000511]	Pa×s	[483.60; 760.55]	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			-1.42682e+01
Coefficient B			3.33570e+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.			483.60
Temperature range, max.			760.55
η	0.0006295	Pa×s	483.60	Calculated Property
η	0.0004167	Pa×s	514.37	Calculated Property
η	0.0002889	Pa×s	545.14	Calculated Property
η	0.0002084	Pa×s	575.92	Calculated Property
η	0.0001553	Pa×s	606.69	Calculated Property
η	0.0001191	Pa×s	637.46	Calculated Property
η	0.0000936	Pa×s	668.23	Calculated Property
η	0.0000751	Pa×s	699.01	Calculated Property
η	0.0000614	Pa×s	729.78	Calculated Property
η	0.0000511	Pa×s	760.55	Calculated Property

Similar Compounds

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

Sources

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

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