Chemical Properties of Chloroacetic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C8H3Cl5O2/c9-2-5(14)15-8-4(11)1-3(10)6(12)7(8)13/h1H,2H2

InChI Key

FTYGKQSYRRJQMV-UHFFFAOYSA-N

Formula

C8H3Cl5O2

SMILES

O=C(CCl)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

308.37

• 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).
• 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.
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[211.50; 350.83]	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			1.08771e+02
Coefficient B			4.26100e-01
Coefficient C			-1.81840e-04
Coefficient D			-2.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.50	J/mol×K	273.00	Calculated Property
Cp,gas	236.66	J/mol×K	353.78	Calculated Property
Cp,gas	259.42	J/mol×K	434.56	Calculated Property
Cp,gas	279.76	J/mol×K	515.33	Calculated Property
Cp,gas	297.69	J/mol×K	596.11	Calculated Property
Cp,gas	313.20	J/mol×K	676.89	Calculated Property
Cp,gas	326.27	J/mol×K	757.67	Calculated Property
Cp,gas	336.90	J/mol×K	838.44	Calculated Property
Cp,gas	345.09	J/mol×K	919.22	Calculated Property
Cp,gas	350.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008433; 0.0002010]	Pa×s	[448.35; 641.14]	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			-1.18477e+01
Coefficient B			2.13842e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			448.35
Temperature range, max.			641.14
η	0.0008433	Pa×s	448.35	Calculated Property
η	0.0006785	Pa×s	469.77	Calculated Property
η	0.0005563	Pa×s	491.19	Calculated Property
η	0.0004638	Pa×s	512.61	Calculated Property
η	0.0003923	Pa×s	534.03	Calculated Property
η	0.0003362	Pa×s	555.45	Calculated Property
η	0.0002914	Pa×s	576.87	Calculated Property
η	0.0002552	Pa×s	598.29	Calculated Property
η	0.0002255	Pa×s	619.72	Calculated Property
η	0.0002010	Pa×s	641.14	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 2,3,4,6-tetrachlorophenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.