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2-Isopropenyl-5,5-dimethyl-1,3,2-dioxaborinane
B1(OCC(CO1)(C)C)C(=C)C
InChI=1S/C8H15BO2/c1-7(2)9-10-5-8(3,4)6-11-9/h1,5-6H2,2-4H3
WSEZGZXKDUZZQN-UHFFFAOYSA-N
CSID:17343023, http://www.chemspider.com/Chemical-Structure.17343023.html (accessed 05:19, Jul 15, 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) = 1.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 163.89 (Adapted Stein & Brown method) Melting Pt (deg C): -25.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.76 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3743 log Kow used: 1.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 87030 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]: 1.494E-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) : 0.4903 Biowin2 (Non-Linear Model) : 0.2887 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6467 (weeks-months) Biowin4 (Primary Survey Model) : 3.4721 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3746 Biowin6 (MITI Non-Linear Model): 0.2823 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1239 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): 336 Pa (2.52 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.93E-009 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.22E-007 Mackay model : 7.14E-007 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.8862 E-12 cm3/molecule-sec Half-Life = 0.162 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.948 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 5.18E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1942 Log Koc: 3.288 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 = 0.462 (BCF = 2.899) log Kow used: 1.51 (estimated) Volatilization from Water: Henry LC: 0.000149 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 6.129 hours Half-Life from Model Lake : 170.9 hours (7.122 days) Removal In Wastewater Treatment: Total removal: 8.77 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 6.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.922 3.35 1000 Water 44.9 900 1000 Soil 54 1.8e+003 1000 Sediment 0.114 8.1e+003 0 Persistence Time: 333 hr
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