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Triethylaluminium
CC[Al](CC)CC
InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;
VOITXYVAKOUIBA-UHFFFAOYSA-N
CSID:10179159, http://www.chemspider.com/Chemical-Structure.10179159.html (accessed 07:24, Apr 25, 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) = 3.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.53 (Adapted Stein & Brown method) Melting Pt (deg C): -24.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.688 (Mean VP of Antoine & Grain methods) MP (exp database): -52.5 deg C BP (exp database): 194 deg C VP (exp database): 2.56E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 120.5 log Kow used: 3.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 539.38 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]: 8.577E-004 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) : 0.6932 Biowin2 (Non-Linear Model) : 0.8002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9469 (weeks ) Biowin4 (Primary Survey Model) : 3.6830 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5220 Biowin6 (MITI Non-Linear Model): 0.6403 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6753 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): 3.41 Pa (0.0256 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.79E-007 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.17E-005 Mackay model : 7.03E-005 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.5218 E-12 cm3/molecule-sec Half-Life = 0.375 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.500 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.1E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 252.8 Log Koc: 2.403 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 = 1.952 (BCF = 89.54) log Kow used: 3.44 (estimated) Volatilization from Water: Henry LC: 0.000858 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.82 hours Half-Life from Model Lake : 109.4 hours (4.56 days) Removal In Wastewater Treatment: Total removal: 34.12 percent Total biodegradation: 0.14 percent Total sludge adsorption: 10.14 percent Total to Air: 23.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.53 9 1000 Water 18.2 360 1000 Soil 79.6 720 1000 Sediment 0.713 3.24e+003 0 Persistence Time: 380 hr
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