Chemical Properties of 2,6-Dichlorobenzyl alcohol, 1-methylpropyl ether

InChI

InChI=1S/C11H14Cl2O/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h4-6,8H,3,7H2,1-2H3

InChI Key

BSOUAKGVMFUNNY-UHFFFAOYSA-N

Formula

C11H14Cl2O

SMILES

CCC(C)OCc1c(Cl)cccc1Cl

Molecular Weight¹

233.14

• 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	[228.58; 497.80]	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			3.71820e+01
Coefficient B			8.07240e-01
Coefficient C			-4.04720e-04
Coefficient D			5.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.58	J/mol×K	273.00	Calculated Property
Cp,gas	274.68	J/mol×K	353.78	Calculated Property
Cp,gas	316.31	J/mol×K	434.56	Calculated Property
Cp,gas	353.65	J/mol×K	515.33	Calculated Property
Cp,gas	386.88	J/mol×K	596.11	Calculated Property
Cp,gas	416.18	J/mol×K	676.89	Calculated Property
Cp,gas	441.74	J/mol×K	757.67	Calculated Property
Cp,gas	463.74	J/mol×K	838.44	Calculated Property
Cp,gas	482.37	J/mol×K	919.22	Calculated Property
Cp,gas	497.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016170; 0.0001823]	Pa×s	[332.26; 560.81]	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			-1.17834e+01
Coefficient B			1.77965e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			332.26
Temperature range, max.			560.81
η	0.0016170	Pa×s	332.26	Calculated Property
η	0.0011055	Pa×s	357.65	Calculated Property
η	0.0007949	Pa×s	383.05	Calculated Property
η	0.0005954	Pa×s	408.44	Calculated Property
η	0.0004614	Pa×s	433.84	Calculated Property
η	0.0003678	Pa×s	459.23	Calculated Property
η	0.0003002	Pa×s	484.62	Calculated Property
η	0.0002500	Pa×s	510.02	Calculated Property
η	0.0002119	Pa×s	535.41	Calculated Property
η	0.0001823	Pa×s	560.81	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dichlorobenzyl 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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