Chemical Properties of 2-(2,4,5-Trichlorophenoxy)ethanol (CAS 2122-77-2)

InChI

InChI=1S/C8H7Cl3O2/c9-5-3-7(11)8(4-6(5)10)13-2-1-12/h3-4,12H,1-2H2

InChI Key

ATKFMEGWDYLXBP-UHFFFAOYSA-N

Formula

C8H7Cl3O2

SMILES

OCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

241.50

CAS

2122-77-2

Other Names

• Ethanol, 2-(2,4,5-trichlorophenoxy)-

• 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	[193.71; 366.39]	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			7.40720e+01
Coefficient B			4.97600e-01
Coefficient C			-2.22080e-04
Coefficient D			1.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.71	J/mol×K	273.00	Calculated Property
Cp,gas	223.06	J/mol×K	353.78	Calculated Property
Cp,gas	249.75	J/mol×K	434.56	Calculated Property
Cp,gas	273.82	J/mol×K	515.33	Calculated Property
Cp,gas	295.34	J/mol×K	596.11	Calculated Property
Cp,gas	314.35	J/mol×K	676.89	Calculated Property
Cp,gas	330.91	J/mol×K	757.67	Calculated Property
Cp,gas	345.06	J/mol×K	838.44	Calculated Property
Cp,gas	356.87	J/mol×K	919.22	Calculated Property
Cp,gas	366.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010729; 0.0000923]	Pa×s	[416.71; 603.75]	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			-1.47541e+01
Coefficient B			3.29900e+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.			416.71
Temperature range, max.			603.75
η	0.0010729	Pa×s	416.71	Calculated Property
η	0.0007366	Pa×s	437.49	Calculated Property
η	0.0005233	Pa×s	458.27	Calculated Property
η	0.0003829	Pa×s	479.06	Calculated Property
η	0.0002876	Pa×s	499.84	Calculated Property
η	0.0002210	Pa×s	520.62	Calculated Property
η	0.0001733	Pa×s	541.40	Calculated Property
η	0.0001383	Pa×s	562.19	Calculated Property
η	0.0001122	Pa×s	582.97	Calculated Property
η	0.0000923	Pa×s	603.75	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2,4,5-Trichlorophenoxy)ethanol.

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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