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85857-16-5

Basic Information
CAS No.: 85857-16-5
Name: 1H,1H,2H,2H-Perfluorooctyltrimethoxysilane
Article Data: 3
Molecular Structure:
Molecular Structure of 85857-16-5 (1H,1H,2H,2H-Perfluorooctyltrimethoxysilane)
Formula: C11H13F13O3Si
Molecular Weight: 468.287
Synonyms: (1H,1H,2H,2H-Perfluorooctyl)trimethoxysilane;3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltrimethoxysilane;Dynasylan F 8161;Silane,trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-;FAS 13;Tridecafluoro-1,1,2,2-tetrahydrooctyltrimethoxysilane;[2-(Perfluorohexyl)ethyl]trimethoxysilane;
EINECS: 288-657-1
Density: 1.393 g/cm3
Melting Point: <0 °C
Boiling Point: 217.3 °C at 760 mmHg
Flash Point: 85.2 °C
Solubility: 240ng/L at 20℃
Hazard Symbols: CorrosiveC,IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 27.69000
LogP: 4.99340
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Specification

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;