Chemical Properties of 1-(2,4,5-trichlorophenyl)-2-chloro-ethanol-1

InChI

InChI=1S/C8H6Cl4O/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2,8,13H,3H2

InChI Key

JQMCNRIUQZHIPP-UHFFFAOYSA-N

Formula

C8H6Cl4O

SMILES

OC(CCl)c1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

259.95

• 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).
• 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

Property	Value	Unit	Source
ΔfH°gas	-254.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.70	kJ/mol	Joback Calculated Property
ΔvapH°	93.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	3.919		Crippen Calculated Property
McVol	154.650	ml/mol	McGowan Calculated Property
Inp	[1711.00; 1732.00]
Inp	1711.00		NIST
Inp	1723.00		NIST
Inp	1732.00		NIST
Inp	1730.00		NIST
Tboil	562.90	K	Relay (1.0) Calculated Property
Tfus	368.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[191.39; 356.70]	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			5.97810e+01
Coefficient B			5.73500e-01
Coefficient C			-3.56680e-04
Coefficient D			8.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.39	J/mol×K	273.00	Calculated Property
Cp,gas	221.58	J/mol×K	353.78	Calculated Property
Cp,gas	248.22	J/mol×K	434.56	Calculated Property
Cp,gas	271.56	J/mol×K	515.33	Calculated Property
Cp,gas	291.87	J/mol×K	596.11	Calculated Property
Cp,gas	309.40	J/mol×K	676.89	Calculated Property
Cp,gas	324.39	J/mol×K	757.67	Calculated Property
Cp,gas	337.10	J/mol×K	838.44	Calculated Property
Cp,gas	347.79	J/mol×K	919.22	Calculated Property
Cp,gas	356.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015777; 0.0000943]	Pa×s	[409.40; 620.92]	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			-1.47225e+01
Coefficient B			3.38605e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			409.40
Temperature range, max.			620.92
η	0.0015777	Pa×s	409.40	Calculated Property
η	0.0010070	Pa×s	432.90	Calculated Property
η	0.0006731	Pa×s	456.41	Calculated Property
η	0.0004681	Pa×s	479.91	Calculated Property
η	0.0003367	Pa×s	503.41	Calculated Property
η	0.0002494	Pa×s	526.91	Calculated Property
η	0.0001896	Pa×s	550.42	Calculated Property
η	0.0001474	Pa×s	573.92	Calculated Property
η	0.0001168	Pa×s	597.42	Calculated Property
η	0.0000943	Pa×s	620.92	Calculated Property

Similar Compounds

Find more compounds similar to 1-(2,4,5-trichlorophenyl)-2-chloro-ethanol-1.

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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