Methylarsonous dichloride
C[As](Cl)Cl
InChI=1S/CH3AsCl2/c1-2(3)4/h1H3
VXRMBBLRHSRVDK-UHFFFAOYSA-N
CSID:55089, http://www.chemspider.com/Chemical-Structure.55089.html (accessed 01:39, Mar 29, 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) = 1.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 91.23 (Adapted Stein & Brown method) Melting Pt (deg C): -49.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 54.4 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1796 log Kow used: 1.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36308 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.44E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.411E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.85 (KowWin est) Log Kaw used: -1.741 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.591 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6710 Biowin2 (Non-Linear Model) : 0.6736 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8437 (weeks ) Biowin4 (Primary Survey Model) : 3.6157 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2340 Biowin6 (MITI Non-Linear Model): 0.1092 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 6.96E+003 Pa (52.2 mm Hg) Log Koa (Koawin est ): 3.591 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.31E-010 Octanol/air (Koa) model: 9.57E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.56E-008 Mackay model : 3.45E-008 Octanol/air (Koa) model: 7.66E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1904 E-12 cm3/molecule-sec Half-Life = 56.176 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.5E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.722 (BCF = 5.272) log Kow used: 1.85 (estimated) Volatilization from Water: Henry LC: 0.000444 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.967 hours Half-Life from Model Lake : 138.7 hours (5.78 days) Removal In Wastewater Treatment: Total removal: 18.33 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.76 percent Total to Air: 16.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.6 1.35e+003 1000 Water 32.3 360 1000 Soil 43 720 1000 Sediment 0.0983 3.24e+003 0 Persistence Time: 253 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight