Dimethylarsinic acid
C[As](=O)(C)O
InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
OGGXGZAMXPVRFZ-UHFFFAOYSA-N
CSID:2418, http://www.chemspider.com/Chemical-Structure.2418.html (accessed 02:33, 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) = 0.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 175.56 (Adapted Stein & Brown method) Melting Pt (deg C): 12.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00456 (Modified Grain method) MP (exp database): 195 deg C BP (exp database): > 200 deg C Subcooled liquid VP: 0.279 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.348e+005 log Kow used: 0.36 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2e+006 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 2000000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) 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]: 6.142E-009 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) : 0.6818 Biowin2 (Non-Linear Model) : 0.7406 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8942 (weeks ) Biowin4 (Primary Survey Model) : 3.6486 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3024 Biowin6 (MITI Non-Linear Model): 0.1948 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 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): 37.2 Pa (0.279 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.06E-008 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.91E-006 Mackay model : 6.45E-006 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.5208 E-12 cm3/molecule-sec Half-Life = 20.538 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.68E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 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 = 0.500 (BCF = 3.162) log Kow used: 0.36 (estimated) Volatilization from Water: Henry LC: 6.14E-009 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.12E+005 hours (4666 days) Half-Life from Model Lake : 1.222E+006 hours (5.09E+004 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.141 493 1000 Water 37.9 360 1000 Soil 61.8 720 1000 Sediment 0.0709 3.24e+003 0 Persistence Time: 581 hr
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