Chemical Properties of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro- (CAS 79-95-8)

InChI

InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3

InChI Key

KYPYTERUKNKOLP-UHFFFAOYSA-N

Formula

C15H12Cl4O2

SMILES

CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1

Molecular Weight¹

366.07

CAS

79-95-8

Other Names

• 2,2',6,6'-Tetrachlorobisphenol A
• 2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol
• 2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane
• 2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane
• 2,2-Bis[3,5-dichloro-4-oxyphenyl]propane
• 3,3',5,5'-Tetrachlorobisphenol A
• 3,5,3',5'-Tetrachlorobisphenol A
• 4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)
• 4,4'-Isopropylidene-2,2',6,6'-tetrachlorodiphenol
• 4,4'-Isopropylidenebis[2,6-dichlorophenol]
• NSC 18248
• Phenol, 4,4'-(2,2-propanediyl) bis[2,6-dichloro]-
• Phenol, 4,4'-isopropylidenebis[2,6-dichloro-
• Tetrachlordian
• Tetrachlorobisphenol A
• Tetrachlorodian

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[305.31; 623.37]	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			-1.21100e+01
Coefficient B			1.49524e+00
Coefficient C			-1.35256e-03
Coefficient D			4.92800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.31	J/mol×K	273.00	Calculated Property
Cp,gas	369.41	J/mol×K	353.78	Calculated Property
Cp,gas	422.68	J/mol×K	434.56	Calculated Property
Cp,gas	466.68	J/mol×K	515.33	Calculated Property
Cp,gas	502.98	J/mol×K	596.11	Calculated Property
Cp,gas	533.12	J/mol×K	676.89	Calculated Property
Cp,gas	558.68	J/mol×K	757.67	Calculated Property
Cp,gas	581.20	J/mol×K	838.44	Calculated Property
Cp,gas	602.24	J/mol×K	919.22	Calculated Property
Cp,gas	623.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046900; 0.0000004]	Pa×s	[408.15; 837.07]	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			-2.38262e+01
Coefficient B			7.53602e+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.			408.15
Temperature range, max.			837.07
η	0.0046900	Pa×s	408.15	Calculated Property
η	0.0006804	Pa×s	455.81	Calculated Property
η	0.0001423	Pa×s	503.47	Calculated Property
η	0.0000390	Pa×s	551.12	Calculated Property
η	0.0000131	Pa×s	598.78	Calculated Property
η	0.0000052	Pa×s	646.44	Calculated Property
η	0.0000023	Pa×s	694.10	Calculated Property
η	0.0000012	Pa×s	741.75	Calculated Property
η	0.0000006	Pa×s	789.41	Calculated Property
η	0.0000004	Pa×s	837.07	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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