Try beta.chemspider
1-Bromo-2-fluoroethane
C(CBr)F
InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2
JTLAIKFGRHDNQM-UHFFFAOYSA-N
CSID:12442, http://www.chemspider.com/Chemical-Structure.12442.html (accessed 14:51, May 11, 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) = 1.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 54.78 (Adapted Stein & Brown method) Melting Pt (deg C): -91.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 135 (Mean VP of Antoine & Grain methods) BP (exp database): 71.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4003 log Kow used: 1.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3564.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.24E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.634E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.61 (KowWin est) Log Kaw used: -0.038 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.648 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6409 Biowin2 (Non-Linear Model) : 0.0378 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9476 (weeks ) Biowin4 (Primary Survey Model) : 3.6999 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5474 Biowin6 (MITI Non-Linear Model): 0.0080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2471 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): 1.76E+004 Pa (132 mm Hg) Log Koa (Koawin est ): 1.648 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.7E-010 Octanol/air (Koa) model: 1.09E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.16E-009 Mackay model : 1.36E-008 Octanol/air (Koa) model: 8.73E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1999 E-12 cm3/molecule-sec Half-Life = 53.503 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.9E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 43.79 Log Koc: 1.641 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.394E-002 L/mol-sec Kb Half-Life at pH 8: 182.554 days Kb Half-Life at pH 7: 4.998 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.538 (BCF = 3.451) log Kow used: 1.61 (estimated) Volatilization from Water: Henry LC: 0.0224 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.179 hours Half-Life from Model Lake : 107.3 hours (4.473 days) Removal In Wastewater Treatment: Total removal: 89.72 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.51 percent Total to Air: 89.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 54.2 1.28e+003 1000 Water 43.4 360 1000 Soil 2.24 720 1000 Sediment 0.11 3.24e+003 0 Persistence Time: 143 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight