Chemical Properties of Phenol, 2,2'-methylenebis(3,5,6-trichloro- (CAS 19386-45-9)

InChI

InChI=1S/C13H6Cl6O2/c14-6-2-8(16)10(18)12(20)4(6)1-5-7(15)3-9(17)11(19)13(5)21/h2-3,20-21H,1H2

InChI Key

SPFVBVIRMDLUJI-UHFFFAOYSA-N

Formula

C13H4Cl6O2

SMILES

Oc1c(Cl)c(Cl)cc(Cl)c1Cc1c(Cl)cc(Cl)c(Cl)c1O

Molecular Weight¹

404.89

CAS

19386-45-9

Other Names

• 2,2'-Methylenebis(3,5,6-trichlorophenol)

• 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	[296.26; 529.18]	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			6.85610e+01
Coefficient B			1.07400e+00
Coefficient C			-9.78680e-04
Coefficient D			3.65300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.26	J/mol×K	273.00	Calculated Property
Cp,gas	342.20	J/mol×K	353.78	Calculated Property
Cp,gas	380.44	J/mol×K	434.56	Calculated Property
Cp,gas	412.12	J/mol×K	515.33	Calculated Property
Cp,gas	438.39	J/mol×K	596.11	Calculated Property
Cp,gas	460.42	J/mol×K	676.89	Calculated Property
Cp,gas	479.36	J/mol×K	757.67	Calculated Property
Cp,gas	496.36	J/mol×K	838.44	Calculated Property
Cp,gas	512.58	J/mol×K	919.22	Calculated Property
Cp,gas	529.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000012; 0.0000004]	Pa×s	[767.19; 867.59]	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			-2.31884e+01
Coefficient B			7.34728e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			767.19
Temperature range, max.			867.59
η	0.0000012	Pa×s	767.19	Calculated Property
η	0.0000011	Pa×s	778.35	Calculated Property
η	0.0000009	Pa×s	789.50	Calculated Property
η	0.0000008	Pa×s	800.66	Calculated Property
η	0.0000007	Pa×s	811.81	Calculated Property
η	0.0000006	Pa×s	822.97	Calculated Property
η	0.0000006	Pa×s	834.12	Calculated Property
η	0.0000005	Pa×s	845.28	Calculated Property
η	0.0000005	Pa×s	856.44	Calculated Property
η	0.0000004	Pa×s	867.59	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,2'-methylenebis(3,5,6-trichloro-.

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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