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Methylborane
BC
InChI=1S/CH5B/c1-2/h2H2,1H3
PLFLRQISROSEIJ-UHFFFAOYSA-N
CSID:4483558, http://www.chemspider.com/Chemical-Structure.4483558.html (accessed 22:28, Jun 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) = 0.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -61.19 (Adapted Stein & Brown method) Melting Pt (deg C): -150.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.64E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.373e+004 log Kow used: 0.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23603 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]: 1.174E-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) : 0.7343 Biowin2 (Non-Linear Model) : 0.9317 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1376 (weeks ) Biowin4 (Primary Survey Model) : 3.8075 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6297 Biowin6 (MITI Non-Linear Model): 0.8508 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 8.33E+005 Pa (6.25E+003 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.6E-012 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.3E-010 Mackay model : 2.88E-010 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2040 E-12 cm3/molecule-sec Half-Life = 52.431 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.09E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 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 = 0.500 (BCF = 3.162) log Kow used: 0.78 (estimated) Volatilization from Water: Henry LC: 0.00117 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 0.8018 hours (48.11 min) Half-Life from Model Lake : 53.01 hours (2.209 days) Removal In Wastewater Treatment: Total removal: 85.34 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.49 percent Total to Air: 84.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 54.3 1.26e+003 1000 Water 43.8 360 1000 Soil 1.84 720 1000 Sediment 0.0846 3.24e+003 0 Persistence Time: 142 hr
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