Try beta.chemspider
Trifluoroborane
B(F)(F)F
InChI=1S/BF3/c2-1(3)4
WTEOIRVLGSZEPR-UHFFFAOYSA-N
CSID:6116, http://www.chemspider.com/Chemical-Structure.6116.html (accessed 22:51, Jun 3, 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) = 0.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 440.52 (Adapted Stein & Brown method) Melting Pt (deg C): 116.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.75E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -126.8 deg C BP (exp database): -127.1 deg C VP (exp database): 3.66E+04 mm Hg at -13 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.831e+004 log Kow used: 0.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 40410 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]: 7.679E-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) : 0.7153 Biowin2 (Non-Linear Model) : 0.8855 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0493 (weeks ) Biowin4 (Primary Survey Model) : 3.7499 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5626 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 5.55E+006 Pa (4.16E+004 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.41E-013 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.95E-011 Mackay model : 4.33E-011 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.14E-011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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: 0.22 (estimated) Volatilization from Water: Henry LC: 0.000768 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.468 hours Half-Life from Model Lake : 85.06 hours (3.544 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.35 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.31 percent Total to Air: 96.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.6 1e+005 1000 Water 42.6 360 1000 Soil 0.725 720 1000 Sediment 0.0792 3.24e+003 0 Persistence Time: 145 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight