Chemical Properties of 2,4,6-Trichlorobenzyl alcohol, 1-methylpropyl ether

InChI

InChI=1S/C11H13Cl3O/c1-3-7(2)15-6-9-10(13)4-8(12)5-11(9)14/h4-5,7H,3,6H2,1-2H3

InChI Key

DQTJCTRPYGVCLF-UHFFFAOYSA-N

Formula

C11H13Cl3O

SMILES

CCC(C)OCc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

267.58

• 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	[244.53; 503.03]	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			6.43720e+01
Coefficient B			7.54540e-01
Coefficient C			-3.58080e-04
Coefficient D			4.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.53	J/mol×K	273.00	Calculated Property
Cp,gas	288.36	J/mol×K	353.78	Calculated Property
Cp,gas	328.11	J/mol×K	434.56	Calculated Property
Cp,gas	363.89	J/mol×K	515.33	Calculated Property
Cp,gas	395.86	J/mol×K	596.11	Calculated Property
Cp,gas	424.13	J/mol×K	676.89	Calculated Property
Cp,gas	448.86	J/mol×K	757.67	Calculated Property
Cp,gas	470.16	J/mol×K	838.44	Calculated Property
Cp,gas	488.17	J/mol×K	919.22	Calculated Property
Cp,gas	503.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011413; 0.0001758]	Pa×s	[374.70; 593.74]	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			-1.18456e+01
Coefficient B			1.89971e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			374.70
Temperature range, max.			593.74
η	0.0011413	Pa×s	374.70	Calculated Property
η	0.0008377	Pa×s	399.04	Calculated Property
η	0.0006371	Pa×s	423.38	Calculated Property
η	0.0004992	Pa×s	447.71	Calculated Property
η	0.0004011	Pa×s	472.05	Calculated Property
η	0.0003293	Pa×s	496.39	Calculated Property
η	0.0002754	Pa×s	520.73	Calculated Property
η	0.0002340	Pa×s	545.07	Calculated Property
η	0.0002016	Pa×s	569.40	Calculated Property
η	0.0001758	Pa×s	593.74	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trichlorobenzyl alcohol, 1-methylpropyl 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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