Chemical Properties of Trichloro acetic acid, tripropylene glycol diester

InChI

InChI=1S/C13H18Cl6O6/c1-7(23-6-9(3)25-11(21)13(17,18)19)4-22-5-8(2)24-10(20)12(14,15)16/h7-9H,4-6H2,1-3H3

InChI Key

YPIYLWYEMBZFBP-UHFFFAOYSA-N

Formula

C13H18Cl6O6

SMILES

CC(COCC(C)OC(=O)C(Cl)(Cl)Cl)OCC(C)OC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

483.00

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[421.31; 797.40]	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			1.16243e+02
Coefficient B			1.31296e+00
Coefficient C			-7.47800e-04
Coefficient D			1.16000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.31	J/mol×K	273.00	Calculated Property
Cp,gas	492.28	J/mol×K	353.78	Calculated Property
Cp,gas	555.10	J/mol×K	434.56	Calculated Property
Cp,gas	610.14	J/mol×K	515.33	Calculated Property
Cp,gas	657.76	J/mol×K	596.11	Calculated Property
Cp,gas	698.32	J/mol×K	676.89	Calculated Property
Cp,gas	732.20	J/mol×K	757.67	Calculated Property
Cp,gas	759.76	J/mol×K	838.44	Calculated Property
Cp,gas	781.38	J/mol×K	919.22	Calculated Property
Cp,gas	797.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003684; 0.0000220]	Pa×s	[504.75; 765.35]	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			-1.61890e+01
Coefficient B			4.18060e+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.			504.75
Temperature range, max.			765.35
η	0.0003684	Pa×s	504.75	Calculated Property
η	0.0002350	Pa×s	533.71	Calculated Property
η	0.0001571	Pa×s	562.66	Calculated Property
η	0.0001092	Pa×s	591.62	Calculated Property
η	0.0000785	Pa×s	620.57	Calculated Property
η	0.0000581	Pa×s	649.53	Calculated Property
η	0.0000442	Pa×s	678.48	Calculated Property
η	0.0000343	Pa×s	707.44	Calculated Property
η	0.0000272	Pa×s	736.39	Calculated Property
η	0.0000220	Pa×s	765.35	Calculated Property

Similar Compounds

Find more compounds similar to Trichloro acetic acid, tripropylene 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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