N-HEXYLTRIETHOXYSILANE

The CAS register number of n-Hexyltriethoxysilane is 18166-37-5. It also can be called as Silane, triethoxyhexyl- and the systematic name about this chemical is triethoxy(hexyl)silane. The molecular formula about this chemical is C₁₂H₂₈O₃Si and molecular weight is 248.43. It belongs to the following product categories, such as Si (Classes of Silicon Compounds); Si-O Compounds; Trialkoxysilanes and so on.

Physical properties about n-Hexyltriethoxysilane are: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 4.39; (3)ACD/LogD (pH 7.4): 4.39; (4)ACD/BCF (pH 5.5): 1271.26; (5)ACD/BCF (pH 7.4): 1271.26; (6)ACD/KOC (pH 5.5): 5802.44; (7)ACD/KOC (pH 7.4): 5802.44; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 27.69Ų; (11)Index of Refraction: 1.422; (12)Molar Refractivity: 71.59 cm³; (13)Molar Volume: 281.4 cm³; (14)Polarizability: 28.38x10^-24cm³; (15)Surface Tension: 24.7 dyne/cm; (16)Enthalpy of Vaporization: 42.1 kJ/mol; (17)Boiling Point: 202.7 °C at 760 mmHg; (18)Vapour Pressure: 0.411 mmHg at 25°C.

Preparation: this chemical can be prepared by hex-1-ene and triethoxysilane. This reaction will need catalyst Rh(I)-catalyst and solvent tetrahydrofuran. The reaction time is 1 hour(s) with ambient temperature. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)[Si](OCC)(OCC)CCCCCC
(2)InChI: InChI=1/C12H28O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
(3)InChIKey: WUMSTCDLAYQDNO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H28O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
(5)Std. InChIKey: WUMSTCDLAYQDNO-UHFFFAOYSA-N