Chemical Properties of 2,4,6-Trichlorobenzyl alcohol, 3-methylbutyl ether

InChI

InChI=1S/C12H15Cl3O/c1-8(2)3-4-16-7-10-11(14)5-9(13)6-12(10)15/h5-6,8H,3-4,7H2,1-2H3

InChI Key

VGFVUBFYUOTIAV-UHFFFAOYSA-N

Formula

C12H15Cl3O

SMILES

CC(C)CCOCc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

281.61

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[265.75; 554.62]	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			6.34630e+01
Coefficient B			8.49540e-01
Coefficient C			-4.12480e-04
Coefficient D			5.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.75	J/mol×K	273.00	Calculated Property
Cp,gas	314.78	J/mol×K	353.78	Calculated Property
Cp,gas	359.18	J/mol×K	434.56	Calculated Property
Cp,gas	399.12	J/mol×K	515.33	Calculated Property
Cp,gas	434.77	J/mol×K	596.11	Calculated Property
Cp,gas	466.30	J/mol×K	676.89	Calculated Property
Cp,gas	493.87	J/mol×K	757.67	Calculated Property
Cp,gas	517.67	J/mol×K	838.44	Calculated Property
Cp,gas	537.87	J/mol×K	919.22	Calculated Property
Cp,gas	554.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010834; 0.0001651]	Pa×s	[385.97; 607.06]	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			-1.19935e+01
Coefficient B			1.99387e+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.			385.97
Temperature range, max.			607.06
η	0.0010834	Pa×s	385.97	Calculated Property
η	0.0007954	Pa×s	410.54	Calculated Property
η	0.0006046	Pa×s	435.10	Calculated Property
η	0.0004733	Pa×s	459.67	Calculated Property
η	0.0003798	Pa×s	484.23	Calculated Property
η	0.0003113	Pa×s	508.80	Calculated Property
η	0.0002599	Pa×s	533.36	Calculated Property
η	0.0002205	Pa×s	557.93	Calculated Property
η	0.0001896	Pa×s	582.50	Calculated Property
η	0.0001651	Pa×s	607.06	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trichlorobenzyl alcohol, 3-methylbutyl 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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