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3-(Trimethylsilyl)-1-propanol
C[Si](C)(C)CCCO
InChI=1S/C6H16OSi/c1-8(2,3)6-4-5-7/h7H,4-6H2,1-3H3
YNUUCDHAZGAVEZ-UHFFFAOYSA-N
CSID:68696, http://www.chemspider.com/Chemical-Structure.68696.html (accessed 02:09, Apr 24, 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) = 2.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 158.60 (Adapted Stein & Brown method) Melting Pt (deg C): -34.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.23 (Mean VP of Antoine & Grain methods) BP (exp database): 141 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3589 log Kow used: 2.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 102.82 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.42E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.081E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.24 (KowWin est) Log Kaw used: -3.236 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.476 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8433 Biowin2 (Non-Linear Model) : 0.9045 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0668 (weeks ) Biowin4 (Primary Survey Model) : 3.7863 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6292 Biowin6 (MITI Non-Linear Model): 0.7423 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8081 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 268 Pa (2.01 mm Hg) Log Koa (Koawin est ): 5.476 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.12E-008 Octanol/air (Koa) model: 7.35E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.04E-007 Mackay model : 8.96E-007 Octanol/air (Koa) model: 5.88E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.2864 E-12 cm3/molecule-sec Half-Life = 1.468 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.615 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.5E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.943 Log Koc: 0.998 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 = 1.022 (BCF = 10.51) log Kow used: 2.24 (estimated) Volatilization from Water: Henry LC: 1.42E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 48.59 hours (2.025 days) Half-Life from Model Lake : 626.6 hours (26.11 days) Removal In Wastewater Treatment: Total removal: 3.30 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.43 percent Total to Air: 0.78 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.81 35.2 1000 Water 28.6 360 1000 Soil 68.5 720 1000 Sediment 0.135 3.24e+003 0 Persistence Time: 430 hr
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