Chemical Properties of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo- (CAS 79-94-7)

InChI

InChI=1S/C15H12Br4O2/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

VEORPZCZECFIRK-UHFFFAOYSA-N

Formula

C15H12Br4O2

SMILES

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

Molecular Weight¹

543.87

CAS

79-94-7

Other Names

• 2,2',6,6'-Tetrabromo-4,4'-isopropylidene bisphenol
• 2,2',6,6'-Tetrabromo-4,4-isopropylidenediphenol
• 2,2',6,6'-Tetrabromobisphenol A
• 2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol
• 2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane
• 2,2-bis(3,5-dibromo-4-hydroxyphenyl)propane
• 3,3',5,5'-Tetrabromo-4,4-dihydroxy-2,2-diphenylpropane
• 3,3',5,5'-Tetrabromobisphenol A
• 3,5,3',5'-Tetrabromobisphenol A
• 4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]
• 4,4'-(propane-2,2-diyl)bis(2,6-dibromophenol)
• 4,4'-Isopropylidenebis(2,6-dibromophenol)
• 4,4'-Isopropylylidenebis(2,6-dibromophenol)
• BA 59
• Bromdian
• FG 2000
• FR-1524
• Fire Guard 2000
• Firemaster BP4A
• Great Lakes BA-59P
• NSC 59775
• Phenol, 4,4'-(2,2-propanediyl) bis[2,6-dibromo]-
• Phenol, 4,4'-isopropylidenebis[2,6-dibromo-
• Saytex RB 100PC
• Saytex RB-100
• Tetrabromobisphenol "A"
• Tetrabromobisphenol A
• Tetrabromodian
• Tetrabromodiphenylopropane

• 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_fusH : Enthalpy of fusion at a given temperature (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 vaporization 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.64; 626.57]	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			-3.09100e+01
Coefficient B			1.62084e+00
Coefficient C			-1.55656e-03
Coefficient D			5.93200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.64	J/mol×K	273.00	Calculated Property
Cp,gas	373.96	J/mol×K	353.78	Calculated Property
Cp,gas	428.18	J/mol×K	434.56	Calculated Property
Cp,gas	472.17	J/mol×K	515.33	Calculated Property
Cp,gas	507.83	J/mol×K	596.11	Calculated Property
Cp,gas	537.01	J/mol×K	676.89	Calculated Property
Cp,gas	561.60	J/mol×K	757.67	Calculated Property
Cp,gas	583.47	J/mol×K	838.44	Calculated Property
Cp,gas	604.50	J/mol×K	919.22	Calculated Property
Cp,gas	626.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012378; 0.0000001]	Pa×s	[453.15; 935.64]	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			-2.43263e+01
Coefficient B			7.98986e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			453.15
Temperature range, max.			935.64
η	0.0012378	Pa×s	453.15	Calculated Property
η	0.0001917	Pa×s	506.76	Calculated Property
η	0.0000424	Pa×s	560.37	Calculated Property
η	0.0000122	Pa×s	613.98	Calculated Property
η	0.0000043	Pa×s	667.59	Calculated Property
η	0.0000018	Pa×s	721.20	Calculated Property
η	0.0000008	Pa×s	774.81	Calculated Property
η	0.0000004	Pa×s	828.42	Calculated Property
η	0.0000002	Pa×s	882.03	Calculated Property
η	0.0000001	Pa×s	935.64	Calculated Property

Similar Compounds

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

Mixtures

• Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo- + Water + Cetrimonium Bromide

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
• Pyrolysis kinetics of tetrabromobisphenol a (TBBPA) and electric arc furnace dust mixtures
• Solubility of 2,2',6,6'-Tetrabromo-4,4'-isopropylidene Phenol in Aqueous Pollutant Solutions
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.