Chemical Properties of Benzenemethanol, 2,4-dichloro-.alpha.-(chloromethyl)-

InChI

InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2

InChI Key

XHEPANNURIQWRM-UHFFFAOYSA-N

Formula

C8H7Cl3O

SMILES

OC(CCl)c1ccc(Cl)cc1Cl

Molecular Weight¹

225.50

Other Names

• Benzyl alcohol, 2,4-dichloro-«alpha»-(chloromethyl)-
• 2-Chloro-1-(2,4-dichlorophenyl)ethanol
• 2,4-Dichloro-«alpha»-(chloromethyl)benzyl alcohol
• «alpha»-(2,4-Dichlorophenyl)-«beta»-chloroethanol
• «alpha»-(Chloromethyl)-2,4-dichlorobenzyl alcohol

• 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	[175.44; 351.47]	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			3.25910e+01
Coefficient B			6.26200e-01
Coefficient C			-4.03320e-04
Coefficient D			9.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.44	J/mol×K	273.00	Calculated Property
Cp,gas	207.90	J/mol×K	353.78	Calculated Property
Cp,gas	236.43	J/mol×K	434.56	Calculated Property
Cp,gas	261.32	J/mol×K	515.33	Calculated Property
Cp,gas	282.89	J/mol×K	596.11	Calculated Property
Cp,gas	301.44	J/mol×K	676.89	Calculated Property
Cp,gas	317.27	J/mol×K	757.67	Calculated Property
Cp,gas	330.68	J/mol×K	838.44	Calculated Property
Cp,gas	341.98	J/mol×K	919.22	Calculated Property
Cp,gas	351.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031368; 0.0001102]	Pa×s	[366.96; 588.29]	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			-1.46647e+01
Coefficient B			3.26599e+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.			366.96
Temperature range, max.			588.29
η	0.0031368	Pa×s	366.96	Calculated Property
η	0.0017936	Pa×s	391.55	Calculated Property
η	0.0010956	Pa×s	416.14	Calculated Property
η	0.0007071	Pa×s	440.74	Calculated Property
η	0.0004780	Pa×s	465.33	Calculated Property
η	0.0003360	Pa×s	489.92	Calculated Property
η	0.0002444	Pa×s	514.51	Calculated Property
η	0.0001829	Pa×s	539.10	Calculated Property
η	0.0001404	Pa×s	563.69	Calculated Property
η	0.0001102	Pa×s	588.29	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 2,4-dichloro-.alpha.-(chloromethyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.