Bis(2-methyl-2-propanyl)zinc
CC(C)(C)[Zn]C(C)(C)C
InChI=1S/2C4H9.Zn/c2*1-4(2)3;/h2*1-3H3;
KYHHMFUFEIHUHB-UHFFFAOYSA-N
CSID:10750751, http://www.chemspider.com/Chemical-Structure.10750751.html (accessed 06:37, 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) = 3.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 158.50 (Adapted Stein & Brown method) Melting Pt (deg C): -9.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.52 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 76.47 log Kow used: 3.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 263.78 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]: 1.088E-002 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) : 0.2942 Biowin2 (Non-Linear Model) : 0.0480 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3780 (weeks-months) Biowin4 (Primary Survey Model) : 3.2817 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3155 Biowin6 (MITI Non-Linear Model): 0.1486 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3098 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): 429 Pa (3.22 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.99E-009 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.52E-007 Mackay model : 5.59E-007 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.0037 E-12 cm3/molecule-sec Half-Life = 10.657 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.06E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 393.3 Log Koc: 2.595 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 = 1.878 (BCF = 75.5) log Kow used: 3.35 (estimated) Volatilization from Water: Henry LC: 0.0109 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.44 hours Half-Life from Model Lake : 128.1 hours (5.337 days) Removal In Wastewater Treatment: Total removal: 81.83 percent Total biodegradation: 0.06 percent Total sludge adsorption: 6.05 percent Total to Air: 75.73 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 22 256 1000 Water 27.7 900 1000 Soil 48.9 1.8e+003 1000 Sediment 1.41 8.1e+003 0 Persistence Time: 288 hr
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