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Diallyl(methyl)silane
C[SiH](CC=C)CC=C
InChI=1S/C7H14Si/c1-4-6-8(3)7-5-2/h4-5,8H,1-2,6-7H2,3H3
LYSYPQKEMROUMS-UHFFFAOYSA-N
CSID:14021657, http://www.chemspider.com/Chemical-Structure.14021657.html (accessed 01:51, Jul 5, 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) = 3.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 117.05 (Adapted Stein & Brown method) Melting Pt (deg C): -88.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 17.8 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 47.77 log Kow used: 3.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.7643 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.77E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.191E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.86 (KowWin est) Log Kaw used: 1.054 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.806 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6874 Biowin2 (Non-Linear Model) : 0.7713 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9201 (weeks ) Biowin4 (Primary Survey Model) : 3.6656 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4728 Biowin6 (MITI Non-Linear Model): 0.4824 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3674 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): 2.23E+003 Pa (16.7 mm Hg) Log Koa (Koawin est ): 2.806 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.35E-009 Octanol/air (Koa) model: 1.57E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.87E-008 Mackay model : 1.08E-007 Octanol/air (Koa) model: 1.26E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.8044 E-12 cm3/molecule-sec Half-Life = 0.195 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.342 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec Half-Life = 0.477 Days (at 7E11 mol/cm3) Half-Life = 11.460 Hrs Fraction sorbed to airborne particulates (phi): 7.82E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 445 Log Koc: 2.648 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 = 2.274 (BCF = 188.1) log Kow used: 3.86 (estimated) Volatilization from Water: Henry LC: 0.277 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.149 hours Half-Life from Model Lake : 106.8 hours (4.448 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.17 percent Total biodegradation: 0.05 percent Total sludge adsorption: 13.64 percent Total to Air: 85.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.01 3.33 1000 Water 67.2 360 1000 Soil 22.5 720 1000 Sediment 6.33 3.24e+003 0 Persistence Time: 91.3 hr
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