- Charge
Dihydrido(dimethyl)phenylsilicate(1-)
[Si-](c1ccccc1)(C)C
InChI=1S/C8H11Si/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/q-1
GQDXTRBQDNESKB-UHFFFAOYSA-N
CSID:9139832, http://www.chemspider.com/Chemical-Structure.9139832.html (accessed 00:58, Apr 20, 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) = 3.77 Log Kow (Exper. database match) = 3.99 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 170.59 (Adapted Stein & Brown method) Melting Pt (deg C): -52.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.96 (Mean VP of Antoine & Grain methods) BP (exp database): 156.5 deg C VP (exp database): 3.67E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 33.95 log Kow used: 3.99 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 332.51 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.89E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.563E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.99 (exp database) Log Kaw used: -0.393 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.383 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8108 Biowin2 (Non-Linear Model) : 0.9465 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9200 (weeks ) Biowin4 (Primary Survey Model) : 3.6560 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3486 Biowin6 (MITI Non-Linear Model): 0.3168 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4180 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): 489 Pa (3.67 mm Hg) Log Koa (Koawin est ): 4.383 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.13E-009 Octanol/air (Koa) model: 5.93E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.21E-007 Mackay model : 4.9E-007 Octanol/air (Koa) model: 4.74E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.2490 E-12 cm3/molecule-sec Half-Life = 4.756 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 57.069 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.56E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 817.2 Log Koc: 2.912 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 = 2.372 (BCF = 235.7) log Kow used: 3.99 (expkow database) Volatilization from Water: Henry LC: 0.00989 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.26 hours Half-Life from Model Lake : 111.6 hours (4.651 days) Removal In Wastewater Treatment: Total removal: 82.92 percent Total biodegradation: 0.12 percent Total sludge adsorption: 19.85 percent Total to Air: 62.95 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.4 114 1000 Water 17.9 360 1000 Soil 69.4 720 1000 Sediment 2.23 3.24e+003 0 Persistence Time: 348 hr
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