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Trihexylsilane
CCCCCC[SiH](CCCCCC)CCCCCC
InChI=1S/C18H40Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h19H,4-18H2,1-3H3
IBNSYFQZHBBNLR-UHFFFAOYSA-N
CSID:68711, http://www.chemspider.com/Chemical-Structure.68711.html (accessed 11:20, Jul 6, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 18.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 11.24 (Adapted Stein & Brown method) Melting Pt (deg C): -15.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.25E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.026e-012 log Kow used: 18.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8461e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.723E+013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -2.6987 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): -1.2479 (recalcitrant) Biowin4 (Primary Survey Model) : 0.6752 (recalcitrant) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0825 Biowin6 (MITI Non-Linear Model): 0.8163 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -5.1801 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.67E+005 Pa (1.25E+003 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.8E-011 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.5E-010 Mackay model : 1.44E-009 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.05E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.917E+005 Log Koc: 5.593 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 18.03 (estimated) Volatilization from Water: Henry LC: 4.72E+013 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.722 hours Half-Life from Model Lake : 160.2 hours (6.677 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100.00 percent Total biodegradation: 0.18 percent Total sludge adsorption: 59.92 percent Total to Air: 39.90 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.02 1e+005 1000 Water 1.22 4.32e+003 1000 Soil 0.18 8.64e+003 1000 Sediment 97.6 3.89e+004 0 Persistence Time: 6.53e+003 hr
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