- Double-bond stereo
1,1-Dimethyl-5-[(E)-2-phenylvinyl]-1,2,3,4-tetrahydrosiline
C(/C1=C/[Si](C)(C)CCC1)=C\c2ccccc2
InChI=1S/C15H20Si/c1-16(2)12-6-9-15(13-16)11-10-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3/b11-10+
NBLSKBJUCGQLGR-ZHACJKMWSA-N
CSID:9497101, http://www.chemspider.com/Chemical-Structure.9497101.html (accessed 12:47, Mar 28, 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) = 6.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 287.20 (Adapted Stein & Brown method) Melting Pt (deg C): 77.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00122 (Modified Grain method) Subcooled liquid VP: 0.00384 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1071 log Kow used: 6.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0081322 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.15E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.424E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.40 (KowWin est) Log Kaw used: -0.328 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.728 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7669 Biowin2 (Non-Linear Model) : 0.8270 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7164 (weeks-months) Biowin4 (Primary Survey Model) : 3.5231 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1523 Biowin6 (MITI Non-Linear Model): 0.0670 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1626 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): 0.512 Pa (0.00384 mm Hg) Log Koa (Koawin est ): 6.728 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.86E-006 Octanol/air (Koa) model: 1.31E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000212 Mackay model : 0.000469 Octanol/air (Koa) model: 0.000105 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 195.9579 E-12 cm3/molecule-sec Half-Life = 0.055 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.655 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 63.180000 E-17 cm3/molecule-sec Half-Life = 0.018 Days (at 7E11 mol/cm3) Half-Life = 26.120 Min Fraction sorbed to airborne particulates (phi): 0.00034 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.95E+004 Log Koc: 4.695 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 = 4.225 (BCF = 1.678e+004) log Kow used: 6.40 (estimated) Volatilization from Water: Henry LC: 0.0115 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.619 hours Half-Life from Model Lake : 144.4 hours (6.016 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.73 percent Total sludge adsorption: 89.92 percent Total to Air: 3.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00763 0.327 1000 Water 2.68 900 1000 Soil 35.5 1.8e+003 1000 Sediment 61.8 8.1e+003 0 Persistence Time: 2.43e+003 hr
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