Chemical Properties of Acetoxyacetic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C10H7Cl3O4/c1-5(14)16-4-10(15)17-9-3-7(12)6(11)2-8(9)13/h2-3H,4H2,1H3

InChI Key

SWGZAKBXZHMWLP-UHFFFAOYSA-N

Formula

C10H7Cl3O4

SMILES

CC(=O)OCC(=O)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

297.52

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[240.90; 448.62]	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			9.22810e+01
Coefficient B			6.07220e-01
Coefficient C			-2.22280e-04
Coefficient D			-2.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.90	J/mol×K	273.00	Calculated Property
Cp,gas	278.02	J/mol×K	353.78	Calculated Property
Cp,gas	311.83	J/mol×K	434.56	Calculated Property
Cp,gas	342.26	J/mol×K	515.33	Calculated Property
Cp,gas	369.21	J/mol×K	596.11	Calculated Property
Cp,gas	392.59	J/mol×K	676.89	Calculated Property
Cp,gas	412.31	J/mol×K	757.67	Calculated Property
Cp,gas	428.28	J/mol×K	838.44	Calculated Property
Cp,gas	440.42	J/mol×K	919.22	Calculated Property
Cp,gas	448.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008642; 0.0001492]	Pa×s	[440.86; 647.67]	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			-1.25545e+01
Coefficient B			2.42508e+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.			440.86
Temperature range, max.			647.67
η	0.0008642	Pa×s	440.86	Calculated Property
η	0.0006580	Pa×s	463.84	Calculated Property
η	0.0005141	Pa×s	486.82	Calculated Property
η	0.0004107	Pa×s	509.80	Calculated Property
η	0.0003345	Pa×s	532.78	Calculated Property
η	0.0002772	Pa×s	555.76	Calculated Property
η	0.0002331	Pa×s	578.74	Calculated Property
η	0.0001986	Pa×s	601.71	Calculated Property
η	0.0001712	Pa×s	624.69	Calculated Property
η	0.0001492	Pa×s	647.67	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, 2,4,5-trichlorophenyl ester.

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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