- Charge
(Ethanolato)(dimethyl)aluminium
C[Al](C)OCC
InChI=1S/C2H5O.2CH3.Al/c1-2-3;;;/h2H2,1H3;2*1H3;/q-1;;;+1
MWNKMBHGMZHEMM-UHFFFAOYSA-N
CSID:10676449, http://www.chemspider.com/Chemical-Structure.10676449.html (accessed 11:50, Dec 6, 2023)
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) = 1.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 179.95 (Adapted Stein & Brown method) Melting Pt (deg C): -30.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.32 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.077e+004 log Kow used: 1.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0766e+005 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]: 1.647E-005 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) : 0.6989 Biowin2 (Non-Linear Model) : 0.8262 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9735 (weeks ) Biowin4 (Primary Survey Model) : 3.7004 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4590 Biowin6 (MITI Non-Linear Model): 0.5164 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6234 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): 161 Pa (1.21 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.86E-008 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.72E-007 Mackay model : 1.49E-006 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.8934 E-12 cm3/molecule-sec Half-Life = 1.203 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.432 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.08E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 124.9 Log Koc: 2.096 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 = 0.228 (BCF = 1.691) log Kow used: 1.21 (estimated) Volatilization from Water: Henry LC: 1.65E-005 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 36.96 hours (1.54 days) Half-Life from Model Lake : 487.9 hours (20.33 days) Removal In Wastewater Treatment: Total removal: 2.81 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 0.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.37 28.9 1000 Water 41.5 360 1000 Soil 55.1 720 1000 Sediment 0.0876 3.24e+003 0 Persistence Time: 346 hr
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