Chemical Properties of Trichloroacetic acid, triethylene glycol diester

InChI

InChI=1S/C10H12Cl6O6/c11-9(12,13)7(17)21-5-3-19-1-2-20-4-6-22-8(18)10(14,15)16/h1-6H2

InChI Key

RIJPRJBXZMWTOK-UHFFFAOYSA-N

Formula

C10H12Cl6O6

SMILES

O=C(OCCOCCOCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Molecular Weight¹

440.92

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[358.61; 641.02]	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			1.24016e+02
Coefficient B			1.01020e+00
Coefficient C			-5.75000e-04
Coefficient D			8.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.61	J/mol×K	273.00	Calculated Property
Cp,gas	413.06	J/mol×K	353.78	Calculated Property
Cp,gas	461.13	J/mol×K	434.56	Calculated Property
Cp,gas	503.10	J/mol×K	515.33	Calculated Property
Cp,gas	539.21	J/mol×K	596.11	Calculated Property
Cp,gas	569.73	J/mol×K	676.89	Calculated Property
Cp,gas	594.91	J/mol×K	757.67	Calculated Property
Cp,gas	615.01	J/mol×K	838.44	Calculated Property
Cp,gas	630.29	J/mol×K	919.22	Calculated Property
Cp,gas	641.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003542; 0.0000458]	Pa×s	[515.94; 715.53]	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			-1.52811e+01
Coefficient B			3.78466e+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.			515.94
Temperature range, max.			715.53
η	0.0003542	Pa×s	515.94	Calculated Property
η	0.0002618	Pa×s	538.12	Calculated Property
η	0.0001982	Pa×s	560.29	Calculated Property
η	0.0001532	Pa×s	582.47	Calculated Property
η	0.0001207	Pa×s	604.65	Calculated Property
η	0.0000968	Pa×s	626.82	Calculated Property
η	0.0000787	Pa×s	649.00	Calculated Property
η	0.0000649	Pa×s	671.17	Calculated Property
η	0.0000542	Pa×s	693.35	Calculated Property
η	0.0000458	Pa×s	715.53	Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, triethylene glycol diester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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