Chemical Properties of Benzyl alcohol, m-chloro-alpha-dichloromethyl-

InChI

InChI=1S/C8H7Cl3O/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,7-8,12H

InChI Key

INLMRTPMNPOFAV-UHFFFAOYSA-N

Formula

C8H7Cl3O

SMILES

OC(c1cccc(Cl)c1)C(Cl)Cl

Molecular Weight¹

225.50

• 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).
• 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	[172.57; 355.05]	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			1.66100e+01
Coefficient B			6.91600e-01
Coefficient C			-4.73560e-04
Coefficient D			1.20400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.57	J/mol×K	273.00	Calculated Property
Cp,gas	207.34	J/mol×K	353.78	Calculated Property
Cp,gas	237.60	J/mol×K	434.56	Calculated Property
Cp,gas	263.73	J/mol×K	515.33	Calculated Property
Cp,gas	286.11	J/mol×K	596.11	Calculated Property
Cp,gas	305.11	J/mol×K	676.89	Calculated Property
Cp,gas	321.13	J/mol×K	757.67	Calculated Property
Cp,gas	334.54	J/mol×K	838.44	Calculated Property
Cp,gas	345.72	J/mol×K	919.22	Calculated Property
Cp,gas	355.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066807; 0.0001034]	Pa×s	[339.44; 586.96]	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			-1.48927e+01
Coefficient B			3.35507e+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.			339.44
Temperature range, max.			586.96
η	0.0066807	Pa×s	339.44	Calculated Property
η	0.0031848	Pa×s	366.94	Calculated Property
η	0.0016835	Pa×s	394.44	Calculated Property
η	0.0009670	Pa×s	421.95	Calculated Property
η	0.0005945	Pa×s	449.45	Calculated Property
η	0.0003865	Pa×s	476.95	Calculated Property
η	0.0002634	Pa×s	504.45	Calculated Property
η	0.0001868	Pa×s	531.96	Calculated Property
η	0.0001370	Pa×s	559.46	Calculated Property
η	0.0001034	Pa×s	586.96	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl alcohol, m-chloro-alpha-dichloromethyl-.

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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