Try beta.chemspider
phenylboron
[B]c1ccccc1
InChI=1S/C6H5B/c7-6-4-2-1-3-5-6/h1-5H
XPPWLXNXHSNMKC-UHFFFAOYSA-N
CSID:9855170, http://www.chemspider.com/Chemical-Structure.9855170.html (accessed 13:25, Aug 1, 2024)
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) = 1.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 105.42 (Adapted Stein & Brown method) Melting Pt (deg C): -60.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 29.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2473 log Kow used: 1.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 963.53 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]: 1.416E-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) : 0.8328 Biowin2 (Non-Linear Model) : 0.9715 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0224 (weeks ) Biowin4 (Primary Survey Model) : 3.7229 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4857 Biowin6 (MITI Non-Linear Model): 0.6295 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5771 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): 3.73E+003 Pa (28 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.04E-010 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.9E-008 Mackay model : 6.43E-008 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.9498 E-12 cm3/molecule-sec Half-Life = 5.486 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 65.827 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.67E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 268 Log Koc: 2.428 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 = 0.835 (BCF = 6.833) log Kow used: 1.99 (estimated) Volatilization from Water: Henry LC: 0.00142 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.36 hours Half-Life from Model Lake : 94.35 hours (3.931 days) Removal In Wastewater Treatment: Total removal: 37.97 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.53 percent Total to Air: 36.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 27.6 132 1000 Water 39.1 360 1000 Soil 33.1 720 1000 Sediment 0.137 3.24e+003 0 Persistence Time: 176 hr
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