Chemical Properties of 2,4,6-Trichlorobenzyl alcohol, isopropyl ether

InChI

InChI=1S/C10H11Cl3O/c1-6(2)14-5-8-9(12)3-7(11)4-10(8)13/h3-4,6H,5H2,1-2H3

InChI Key

NXEXDEPKKPGTBC-UHFFFAOYSA-N

Formula

C10H11Cl3O

SMILES

CC(C)OCc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

253.55

• 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).
• 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, Log10 of Water solubility in mol/l 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	[223.32; 451.44]	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			6.52810e+01
Coefficient B			6.59540e-01
Coefficient C			-3.03680e-04
Coefficient D			3.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.32	J/mol×K	273.00	Calculated Property
Cp,gas	261.95	J/mol×K	353.78	Calculated Property
Cp,gas	297.03	J/mol×K	434.56	Calculated Property
Cp,gas	328.66	J/mol×K	515.33	Calculated Property
Cp,gas	356.95	J/mol×K	596.11	Calculated Property
Cp,gas	381.97	J/mol×K	676.89	Calculated Property
Cp,gas	403.84	J/mol×K	757.67	Calculated Property
Cp,gas	422.64	J/mol×K	838.44	Calculated Property
Cp,gas	438.48	J/mol×K	919.22	Calculated Property
Cp,gas	451.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011917; 0.0001858]	Pa×s	[363.43; 580.62]	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			-1.17004e+01
Coefficient B			1.80555e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			363.43
Temperature range, max.			580.62
η	0.0011917	Pa×s	363.43	Calculated Property
η	0.0008747	Pa×s	387.56	Calculated Property
η	0.0006656	Pa×s	411.69	Calculated Property
η	0.0005221	Pa×s	435.83	Calculated Property
η	0.0004201	Pa×s	459.96	Calculated Property
η	0.0003455	Pa×s	484.09	Calculated Property
η	0.0002894	Pa×s	508.22	Calculated Property
η	0.0002463	Pa×s	532.35	Calculated Property
η	0.0002126	Pa×s	556.49	Calculated Property
η	0.0001858	Pa×s	580.62	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trichlorobenzyl alcohol, isopropyl ether.

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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