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CAS No.: | 134130-24-8 |
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Name: | 1,1,1-Tris(4-trifluorovinyloxyphenyl)ethane |
Molecular Structure: | |
Formula: | C26H15F9O3 |
Molecular Weight: | 546.38 |
Synonyms: | Benzene, 1,1',1''-ethylidynetris[4-[(1,2,2-trifluoroethenyl)oxy]-; |
Density: | 1.367 g/cm3 |
Melting Point: | 31 °C |
Boiling Point: | 432.9 °C at 760 mmHg |
Flash Point: | 224.8 °C |
PSA: | 27.69000 |
LogP: | 9.28260 |
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The 1, 1, 1-Tris(4-trifluorovinyloxyphenyl)ethane, with the CAS registry number 134130-24-8, is also known as Benzene, 1, 1', 1''-ethylidynetris[4-[(1, 2, 2-trifluoroethenyl)oxy]-. This chemical's molecular formula is C26H15F9O3 and molecular weight is 546.38. What's more, its IUPAC name is 1-[1, 1-Bis[4-(1, 2, 2-trifluoroethenoxy)phenyl]ethyl]-4-(1, 2, 2-trifluoroethenoxy)benzene.
Physical properties about 1, 1, 1-Tris(4-trifluorovinyloxyphenyl)ethane are: (1)ACD/LogP: 9.02; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.02; (4)ACD/LogD (pH 7.4): 9.02; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1915564; (8)ACD/KOC (pH 7.4): 1915564; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 118.8 cm3; (15)Molar Volume: 399.4 cm3; (16)Polarizability: 47.09×10-24 cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 224.8 °C; (20)Enthalpy of Vaporization: 66.22 kJ/mol; (21)Boiling Point: 432.9 °C at 760 mmHg; (22)Vapour Pressure: 2.7E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: F/C(Oc1ccc(cc1)C(c2ccc(OC(\F)=C(/F)F)cc2)(c3ccc(OC(\F)=C(/F)F)cc3)C)=C(/F)F
(2) InChI: InChI=1S/C26H15F9O3/c1-26(14-2-8-17(9-3-14)36-23(33)20(27)28,15-4-10-18(11-5-15)37-24(34)21(29)30)16-6-12-19(13-7-16)38-25(35)22(31)32/h2-13H,1H3
(3) InChIKey: XAUHHCMRFFGRMF-UHFFFAOYSA-N