Try beta.chemspider
Dibutylzinc
CCCC[Zn]CCCC
InChI=1S/2C4H9.Zn/c2*1-3-4-2;/h2*1,3-4H2,2H3;
UQTVWGHDJHVLEP-UHFFFAOYSA-N
CSID:10626266, http://www.chemspider.com/Chemical-Structure.10626266.html (accessed 23:37, Apr 26, 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) = 3.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 200.09 (Adapted Stein & Brown method) Melting Pt (deg C): -0.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.515 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 49.4 log Kow used: 3.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 43.543 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]: 2.464E-003 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) : 0.8789 Biowin2 (Non-Linear Model) : 0.9844 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3989 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1267 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4751 Biowin6 (MITI Non-Linear Model): 0.4890 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1974 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): 63.2 Pa (0.474 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.75E-008 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.71E-006 Mackay model : 3.8E-006 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.4347 E-12 cm3/molecule-sec Half-Life = 0.376 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.514 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.76E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 934.6 Log Koc: 2.971 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 = 2.049 (BCF = 112) log Kow used: 3.57 (estimated) Volatilization from Water: Henry LC: 0.00246 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.686 hours Half-Life from Model Lake : 130.8 hours (5.449 days) Removal In Wastewater Treatment: Total removal: 55.08 percent Total biodegradation: 0.12 percent Total sludge adsorption: 11.34 percent Total to Air: 43.62 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.49 9.03 1000 Water 22.1 208 1000 Soil 74.7 416 1000 Sediment 0.759 1.87e+003 0 Persistence Time: 229 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight