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1H,1H,2H,2H-Perfluorooctyltrimethoxysilane(CAS NO.85857-16-5), its Synonyms are Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane; 1H,1H,2H,2H-Perfluorooctyltrimethoxysilane 97%; Trimethoxytridecafluorooctylsilane; 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(trimethoxysilyl)octane. It belongs to the Intermediates/Pharmaceutical intermediates and has the Molecular Formula of C11H13F13O3Si.
Physical properties about 1H,1H,2H,2H-Perfluorooctyltrimethoxysilane are: (1)ACD/LogP: 5.501; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.50; (4)ACD/LogD (pH 7.4): 5.50; (5)ACD/BCF (pH 5.5): 8935.27; (6)ACD/BCF (pH 7.4): 8935.27; (7)ACD/KOC (pH 5.5): 23431.11; (8)ACD/KOC (pH 7.4): 23431.11; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 10; (11)Index of Refraction: 1.332; (12)Molar Refractivity: 68.886 cm3; (13)Molar Volume: 336.043 cm3; (14)Polarizability: 27.309 10-24cm3; (15)Surface Tension: 16.9759998321533 dyne/cm; (16)Density: 1.394 g/cm3; (17)Flash Point: 85.227 °C ; (18)Enthalpy of Vaporization: 43.52 kJ/mol; (19)Boiling Point: 217.312 °C at 760 mmHg; (20)Vapour Pressure: 0.196999996900558 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3;
(2)InChIKey=BVQYIDJXNYHKRK-UHFFFAOYSA-N;
(3)Smiles[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)(OC)OC;