Chemical Properties of 2,3-Dichlorobenzyl alcohol, tert.-butyl ether

InChI

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

InChI Key

FYAFCBBJJQFART-UHFFFAOYSA-N

Formula

C11H14Cl2O

SMILES

CC(C)(C)OCc1cccc(Cl)c1Cl

Molecular Weight¹

233.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[227.43; 498.73]	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			1.43910e+01
Coefficient B			9.27160e-01
Coefficient C			-5.73320e-04
Coefficient D			1.30500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.43	J/mol×K	273.00	Calculated Property
Cp,gas	276.42	J/mol×K	353.78	Calculated Property
Cp,gas	319.74	J/mol×K	434.56	Calculated Property
Cp,gas	357.79	J/mol×K	515.33	Calculated Property
Cp,gas	391.00	J/mol×K	596.11	Calculated Property
Cp,gas	419.77	J/mol×K	676.89	Calculated Property
Cp,gas	444.51	J/mol×K	757.67	Calculated Property
Cp,gas	465.64	J/mol×K	838.44	Calculated Property
Cp,gas	483.58	J/mol×K	919.22	Calculated Property
Cp,gas	498.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014821; 0.0001709]	Pa×s	[349.68; 564.91]	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			-1.21834e+01
Coefficient B			1.98237e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			349.68
Temperature range, max.			564.91
η	0.0014821	Pa×s	349.68	Calculated Property
η	0.0010311	Pa×s	373.59	Calculated Property
η	0.0007493	Pa×s	397.51	Calculated Property
η	0.0005646	Pa×s	421.42	Calculated Property
η	0.0004386	Pa×s	445.34	Calculated Property
η	0.0003496	Pa×s	469.25	Calculated Property
η	0.0002848	Pa×s	493.17	Calculated Property
η	0.0002365	Pa×s	517.08	Calculated Property
η	0.0001996	Pa×s	541.00	Calculated Property
η	0.0001709	Pa×s	564.91	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dichlorobenzyl alcohol, tert.-butyl 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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