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| CAS No.: | 2096-54-0 |
|---|---|
| Name: | 4,4'-Bis(dimethylhydroxysilyl)diphenyl ether |
| Molecular Structure: | |
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| Formula: | C16H22O3Si2 |
| Molecular Weight: | 318.52 |
| Synonyms: | Silanol,(oxydi-4,1-phenylene)bis[dimethyl- (9CI);Silanol,(oxydi-p-phenylene)bis[dimethyl- (7CI,8CI);Bis[p-(hydroxydimethylsilyl)phenyl]ether; |
| Density: | 1.1 g/cm3 |
| Melting Point: | 85-91 °C |
| Boiling Point: | 399.4 °C at 760 mmHg |
| Flash Point: | 195.4 °C |
| PSA: | 49.69000 |
| LogP: | 2.28770 |
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Specification
The systematic name of 4,4'-Bis(dimethylhydroxysilyl)diphenyl ether is (oxydibenzene-4,1-diyl)bis(dimethylsilanol). With the CAS registry number 2096-54-0, it is also named as Silanol,1,1'-(oxydi-4,1-phenylene)bis[1,1-dimethyl-. The product's category is biphenyl & diphenyl ether. Besides, its molecular formula is C16H22O3Si2 and its molecular weight is 318.52.
The other characteristics of 4,4'-Bis(dimethylhydroxysilyl)diphenyl ether can be summarized as: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6904.15; (6)ACD/BCF (pH 7.4): 6904.15; (7)ACD/KOC (pH 5.5): 19481.67; (8)ACD/KOC (pH 7.4): 19481.67; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 92.29 cm3; (15)Molar Volume: 287.2 cm3; (16)Polarizability: 36.58×10-24cm3; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 195.4 °C; (20)Melting point: 85-91 °C; (21)Enthalpy of Vaporization: 68.56 kJ/mol; (22)Boiling Point: 399.4 °C at 760 mmHg; (23)Vapour Pressure: 4.26E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O[Si](C)(C)c2ccc(Oc1ccc(cc1)[Si](C)(C)O)cc2
(2)InChI:InChI=1/C16H22O3Si2/c1-20(2,17)15-9-5-13(6-10-15)19-14-7-11-16(12-8-14)21(3,4)18/h5-12,17-18H,1-4H3
(3)InChIKey:VZSUUFCWNGDTIE-UHFFFAOYAT