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

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Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-

Name
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-
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
Mol. Weight (g/mol)
543.87
CAS
79-94-7

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5

Cetrimonium Bromide

Name
Cetrimonium Bromide
InChI
InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChI Key
LZZYPRNAOMGNLH-UHFFFAOYSA-M
Formula
C19H42BrN
SMILES
Br.CCCCCCCCCCCCCCCC[N+](C)(C)C
Mol. Weight (g/mol)
364.45
CAS
57-09-0
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Datasets

  1. Mole fraction (2)

Mole fraction of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Cetrimonium Bromide (3) - Liquid Mole fraction of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo- (1) - Liquid
293.20 0.0001 0.0000
298.20 0.0001 1.4000e-08
303.20 0.0001 2.0000e-08
308.20 0.0001 2.8000e-08
293.20 0.0001 1.2000e-08
298.20 0.0001 2.3000e-08
303.20 0.0001 2.9000e-08
308.20 0.0001 4.0000e-08
293.20 0.0002 2.4000e-08
298.20 0.0002 3.4000e-08
303.20 0.0002 4.7000e-08
308.20 0.0002 6.1000e-08
293.20 0.0004 3.8000e-08
298.20 0.0004 5.6000e-08
303.20 0.0004 7.2000e-08
308.20 0.0004 9.6000e-08
293.20 0.0008 5.6000e-08
298.20 0.0008 7.4000e-08
303.20 0.0008 1.0000e-07
308.20 0.0008 1.4000e-07

Mole fraction of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo- (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Cetrimonium Bromide (3) - Liquid Mole fraction of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo- (1) - Liquid
293.20 0.0001 0.0000
298.20 0.0001 1.4000e-08
303.20 0.0001 2.0000e-08
308.20 0.0001 2.8000e-08
293.20 0.0001 1.2000e-08
298.20 0.0001 2.3000e-08
303.20 0.0001 2.9000e-08
308.20 0.0001 4.0000e-08
293.20 0.0002 2.4000e-08
298.20 0.0002 3.4000e-08
303.20 0.0002 4.7000e-08
308.20 0.0002 6.1000e-08
293.20 0.0004 3.8000e-08
298.20 0.0004 5.6000e-08
303.20 0.0004 7.2000e-08
308.20 0.0004 9.6000e-08
293.20 0.0008 5.6000e-08
298.20 0.0008 7.4000e-08
303.20 0.0008 1.0000e-07
308.20 0.0008 1.4000e-07

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