Try beta.chemspider
Trimethyl(2-phenylethyl)silane
C[Si](C)(C)CCc1ccccc1
InChI=1S/C11H18Si/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
IGKZJQSYTNNPIQ-UHFFFAOYSA-N
CSID:251989, http://www.chemspider.com/Chemical-Structure.251989.html (accessed 23:14, Jun 15, 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) = 4.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 210.19 (Adapted Stein & Brown method) Melting Pt (deg C): -8.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.216 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.543 log Kow used: 4.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.072172 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.37E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.431E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.92 (KowWin est) Log Kaw used: -0.014 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.934 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8454 Biowin2 (Non-Linear Model) : 0.9454 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7522 (weeks ) Biowin4 (Primary Survey Model) : 3.5268 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2176 Biowin6 (MITI Non-Linear Model): 0.1599 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2426 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): 26.5 Pa (0.199 mm Hg) Log Koa (Koawin est ): 4.934 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.13E-007 Octanol/air (Koa) model: 2.11E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.08E-006 Mackay model : 9.05E-006 Octanol/air (Koa) model: 1.69E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.7064 E-12 cm3/molecule-sec Half-Life = 1.388 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.655 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.56E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3887 Log Koc: 3.590 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 = 3.086 (BCF = 1220) log Kow used: 4.92 (estimated) Volatilization from Water: Henry LC: 0.0237 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.396 hours Half-Life from Model Lake : 127.2 hours (5.3 days) Removal In Wastewater Treatment: Total removal: 94.21 percent Total biodegradation: 0.26 percent Total sludge adsorption: 52.52 percent Total to Air: 41.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.74 33.3 1000 Water 13.7 360 1000 Soil 69.5 720 1000 Sediment 13.1 3.24e+003 0 Persistence Time: 444 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight