Try beta.chemspider
Allyl(4-methoxyphenyl)dimethylsilane
COc1ccc(cc1)[Si](C)(C)CC=C
InChI=1S/C12H18OSi/c1-5-10-14(3,4)12-8-6-11(13-2)7-9-12/h5-9H,1,10H2,2-4H3
BEKRXBQZYQZFBV-UHFFFAOYSA-N
CSID:4244065, http://www.chemspider.com/Chemical-Structure.4244065.html (accessed 16:41, Jun 3, 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) = 5.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 246.63 (Adapted Stein & Brown method) Melting Pt (deg C): 24.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0326 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.355 log Kow used: 5.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.866 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.06E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.533E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.24 (KowWin est) Log Kaw used: -1.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.603 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7812 Biowin2 (Non-Linear Model) : 0.9111 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6850 (weeks-months) Biowin4 (Primary Survey Model) : 3.6271 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3955 Biowin6 (MITI Non-Linear Model): 0.2582 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1991 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): 4.21 Pa (0.0316 mm Hg) Log Koa (Koawin est ): 6.603 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.12E-007 Octanol/air (Koa) model: 9.84E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.57E-005 Mackay model : 5.7E-005 Octanol/air (Koa) model: 7.87E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.9602 E-12 cm3/molecule-sec Half-Life = 0.214 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.569 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 4.13E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3080 Log Koc: 3.488 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 = 3.336 (BCF = 2168) log Kow used: 5.24 (estimated) Volatilization from Water: Henry LC: 0.00106 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.259 hours Half-Life from Model Lake : 145.1 hours (6.046 days) Removal In Wastewater Treatment: Total removal: 85.38 percent Total biodegradation: 0.67 percent Total sludge adsorption: 80.49 percent Total to Air: 4.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.22 4.2 1000 Water 6.61 900 1000 Soil 68 1.8e+003 1000 Sediment 25.2 8.1e+003 0 Persistence Time: 1.26e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight