Chemical Properties of 2-Hydroxyethyl 2-(2,4,5-trichlorophenoxy)propanoate (CAS 116402-64-3)

InChI

InChI=1S/C11H11Cl3O4/c1-6(11(16)17-3-2-15)18-10-5-8(13)7(12)4-9(10)14/h4-6,15H,2-3H2,1H3

InChI Key

PDVSFMMXQVCJGE-UHFFFAOYSA-N

Formula

C11H11Cl3O4

SMILES

CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCCO

Molecular Weight¹

313.56

CAS

116402-64-3

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[273.37; 529.81]	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			9.50720e+01
Coefficient B			7.33720e-01
Coefficient C			-2.93880e-04
Coefficient D			-5.10000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.37	J/mol×K	273.00	Calculated Property
Cp,gas	317.64	J/mol×K	353.78	Calculated Property
Cp,gas	358.00	J/mol×K	434.56	Calculated Property
Cp,gas	394.44	J/mol×K	515.33	Calculated Property
Cp,gas	426.94	J/mol×K	596.11	Calculated Property
Cp,gas	455.49	J/mol×K	676.89	Calculated Property
Cp,gas	480.06	J/mol×K	757.67	Calculated Property
Cp,gas	500.65	J/mol×K	838.44	Calculated Property
Cp,gas	517.24	J/mol×K	919.22	Calculated Property
Cp,gas	529.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004998; 0.0000376]	Pa×s	[477.85; 690.85]	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			-1.59910e+01
Coefficient B			4.00902e+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.			477.85
Temperature range, max.			690.85
η	0.0004998	Pa×s	477.85	Calculated Property
η	0.0003364	Pa×s	501.52	Calculated Property
η	0.0002346	Pa×s	525.18	Calculated Property
η	0.0001688	Pa×s	548.85	Calculated Property
η	0.0001248	Pa×s	572.52	Calculated Property
η	0.0000945	Pa×s	596.18	Calculated Property
η	0.0000731	Pa×s	619.85	Calculated Property
η	0.0000577	Pa×s	643.51	Calculated Property
η	0.0000462	Pa×s	667.18	Calculated Property
η	0.0000376	Pa×s	690.85	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyethyl 2-(2,4,5-trichlorophenoxy)propanoate.

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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