2-(Trimethylarsoranyl)ethanol
C[AsH](C)(C)CCO
InChI=1S/C5H15AsO/c1-6(2,3)4-5-7/h6-7H,4-5H2,1-3H3
CIHXLIBMYUSRLN-UHFFFAOYSA-N
CSID:380804, http://www.chemspider.com/Chemical-Structure.380804.html (accessed 11:55, 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) = 4.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 47.12 (Adapted Stein & Brown method) Melting Pt (deg C): -16.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 328 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 14.08 log Kow used: 4.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 30.619 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.091E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2512 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7715 (months ) Biowin4 (Primary Survey Model) : 2.8409 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5561 Biowin6 (MITI Non-Linear Model): 0.4318 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8351 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): 4.33E+004 Pa (325 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.92E-011 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.5E-009 Mackay model : 5.54E-009 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.02E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 178.2 Log Koc: 2.251 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 = 2.599 (BCF = 396.8) log Kow used: 4.28 (estimated) Volatilization from Water: Henry LC: 5.09 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.315 hours Half-Life from Model Lake : 122.4 hours (5.101 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.96 percent Total biodegradation: 0.09 percent Total sludge adsorption: 25.89 percent Total to Air: 73.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 39 1e+005 1000 Water 37.4 1.44e+003 1000 Soil 1.65 2.88e+003 1000 Sediment 22 1.3e+004 0 Persistence Time: 223 hr
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