Chemical Properties of 2,6-Dichlorobenzyl alcohol, isopropyl ether

InChI

InChI=1S/C10H12Cl2O/c1-7(2)13-6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3

InChI Key

OYHPHDQKBPDHES-UHFFFAOYSA-N

Formula

C10H12Cl2O

SMILES

CC(C)OCc1c(Cl)cccc1Cl

Molecular Weight¹

219.11

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[207.36; 446.21]	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			3.80910e+01
Coefficient B			7.12240e-01
Coefficient C			-3.50320e-04
Coefficient D			4.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.36	J/mol×K	273.00	Calculated Property
Cp,gas	248.27	J/mol×K	353.78	Calculated Property
Cp,gas	285.24	J/mol×K	434.56	Calculated Property
Cp,gas	318.42	J/mol×K	515.33	Calculated Property
Cp,gas	347.97	J/mol×K	596.11	Calculated Property
Cp,gas	374.02	J/mol×K	676.89	Calculated Property
Cp,gas	396.72	J/mol×K	757.67	Calculated Property
Cp,gas	416.22	J/mol×K	838.44	Calculated Property
Cp,gas	432.67	J/mol×K	919.22	Calculated Property
Cp,gas	446.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016690; 0.0001901]	Pa×s	[320.99; 547.49]	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			-1.16464e+01
Coefficient B			1.68549e+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.			320.99
Temperature range, max.			547.49
η	0.0016690	Pa×s	320.99	Calculated Property
η	0.0011394	Pa×s	346.16	Calculated Property
η	0.0008191	Pa×s	371.32	Calculated Property
η	0.0006141	Pa×s	396.49	Calculated Property
η	0.0004765	Pa×s	421.66	Calculated Property
η	0.0003804	Pa×s	446.82	Calculated Property
η	0.0003111	Pa×s	471.99	Calculated Property
η	0.0002597	Pa×s	497.16	Calculated Property
η	0.0002205	Pa×s	522.32	Calculated Property
η	0.0001901	Pa×s	547.49	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dichlorobenzyl 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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