Chemical Properties of Chlorfenethol (CAS 80-06-8)

InChI

InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3

InChI Key

URYAFVKLYSEINW-UHFFFAOYSA-N

Formula

C14H12Cl2O

SMILES

CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

267.15

CAS

80-06-8

Other Names

• DMC
• Benzenemethanol, 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-methyl-
• Benzhydrol, 4,4'-dichloro-«alpha»-methyl-
• Bis(p-chlorophenyl)methylcarbinol
• Bis(4-chlorophenyl)methylcarbinol
• BPE
• Dimit
• Dimite
• DCPC
• ENT 9,624
• Micasin
• Mikazene
• Quickron
• 1,1-Bis(p-Chlorophenyl)ethanol
• 1,1-Bis(4-chlorophenyl)ethanol
• 4,4'-Dichloro-«alpha»-methylbenzhydrol
• p,p'-Dichlorodiphenylmethylcarbinol
• BCPE
• Di(p-chlorophenyl)ethanol
• Di(p-chlorophenyl)methyl carbinol
• Dichlorodiphenylethanol
• DCPE
• Ethanol, 1,1-bis(p-chlorophenyl)-
• Qikron
• 1,1-Bis(p-chlorophenyl)methylcarbinol
• 1,1-Bis(p-chorophenyl)ethanol
• 4,4'-Dichloro-«alpha»-methylbenzohydrol
• 1,1-Bis(4-chlorphenyl)-aethanol
• BCPE (pesticide)
• NSC 2848

• 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_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, 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	[230.91; 535.15]	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			-4.24500e+01
Coefficient B			1.23042e+00
Coefficient C			-9.09120e-04
Coefficient D			2.56300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.91	J/mol×K	273.00	Calculated Property
Cp,gas	290.41	J/mol×K	353.78	Calculated Property
Cp,gas	341.59	J/mol×K	434.56	Calculated Property
Cp,gas	385.27	J/mol×K	515.33	Calculated Property
Cp,gas	422.25	J/mol×K	596.11	Calculated Property
Cp,gas	453.36	J/mol×K	676.89	Calculated Property
Cp,gas	479.39	J/mol×K	757.67	Calculated Property
Cp,gas	501.16	J/mol×K	838.44	Calculated Property
Cp,gas	519.47	J/mol×K	919.22	Calculated Property
Cp,gas	535.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009183; 0.0000438]	Pa×s	[448.50; 690.46]	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			-1.56792e+01
Coefficient B			3.89577e+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.			448.50
Temperature range, max.			690.46
η	0.0009183	Pa×s	448.50	Calculated Property
η	0.0005619	Pa×s	475.38	Calculated Property
η	0.0003624	Pa×s	502.27	Calculated Property
η	0.0002443	Pa×s	529.15	Calculated Property
η	0.0001712	Pa×s	556.04	Calculated Property
η	0.0001239	Pa×s	582.92	Calculated Property
η	0.0000923	Pa×s	609.81	Calculated Property
η	0.0000705	Pa×s	636.69	Calculated Property
η	0.0000550	Pa×s	663.58	Calculated Property
η	0.0000438	Pa×s	690.46	Calculated Property

Similar Compounds

Find more compounds similar to Chlorfenethol.

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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