Try beta.chemspider
Tris(2-methyl-2-propanyl) borate
B(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChI=1S/C12H27BO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3
ZMCWFMOZBTXGKI-UHFFFAOYSA-N
CSID:255616, http://www.chemspider.com/Chemical-Structure.255616.html (accessed 15:32, May 19, 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) = 2.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 207.04 (Adapted Stein & Brown method) Melting Pt (deg C): 10.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.37 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 411.3 log Kow used: 2.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 64795 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]: 2.724E-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) : 0.0862 Biowin2 (Non-Linear Model) : 0.0044 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0542 (months ) Biowin4 (Primary Survey Model) : 3.0554 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2340 Biowin6 (MITI Non-Linear Model): 0.0603 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8828 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): 45.5 Pa (0.341 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.6E-008 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.38E-006 Mackay model : 5.28E-006 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2840 E-12 cm3/molecule-sec Half-Life = 2.497 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.961 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.83E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.704E+004 Log Koc: 4.231 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 = 0.985 (BCF = 9.65) log Kow used: 2.19 (estimated) Volatilization from Water: Henry LC: 0.000272 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 4.808 hours Half-Life from Model Lake : 179.7 hours (7.486 days) Removal In Wastewater Treatment: Total removal: 13.50 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.16 percent Total to Air: 11.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.62 59.9 1000 Water 27.5 1.44e+003 1000 Soil 65.7 2.88e+003 1000 Sediment 0.14 1.3e+004 0 Persistence Time: 502 hr
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