Chemical Properties of 3-Chloro-4-methylbenzyl alcohol (CAS 39652-32-9)

InChI

InChI=1S/C8H9ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3

InChI Key

NLRJZTGNCBMNKS-UHFFFAOYSA-N

Formula

C8H9ClO

SMILES

Cc1ccc(CO)cc1Cl

Molecular Weight¹

156.61

CAS

39652-32-9

Other Names

• Benzenemethanol, 3-chloro-4-methyl-

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.94; 334.39]	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			8.49100e+00
Coefficient B			6.06720e-01
Coefficient C			-3.59320e-04
Coefficient D			7.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.94	J/mol×K	273.00	Calculated Property
Cp,gas	181.64	J/mol×K	353.78	Calculated Property
Cp,gas	210.73	J/mol×K	434.56	Calculated Property
Cp,gas	236.47	J/mol×K	515.33	Calculated Property
Cp,gas	259.11	J/mol×K	596.11	Calculated Property
Cp,gas	278.89	J/mol×K	676.89	Calculated Property
Cp,gas	296.05	J/mol×K	757.67	Calculated Property
Cp,gas	310.86	J/mol×K	838.44	Calculated Property
Cp,gas	323.56	J/mol×K	919.22	Calculated Property
Cp,gas	334.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047515; 0.0001452]	Pa×s	[322.12; 527.52]	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			-1.43072e+01
Coefficient B			2.88553e+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.			322.12
Temperature range, max.			527.52
η	0.0047515	Pa×s	322.12	Calculated Property
η	0.0026269	Pa×s	344.94	Calculated Property
η	0.0015631	Pa×s	367.76	Calculated Property
η	0.0009883	Pa×s	390.59	Calculated Property
η	0.0006573	Pa×s	413.41	Calculated Property
η	0.0004562	Pa×s	436.23	Calculated Property
η	0.0003284	Pa×s	459.05	Calculated Property
η	0.0002438	Pa×s	481.87	Calculated Property
η	0.0001860	Pa×s	504.70	Calculated Property
η	0.0001452	Pa×s	527.52	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-4-methylbenzyl alcohol.

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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