Try beta.chemspider
2-Fluoro-N-(2-fluorophenyl)benzamide
c1ccc(c(c1)C(=O)Nc2ccccc2F)F
InChI=1S/C13H9F2NO/c14-10-6-2-1-5-9(10)13(17)16-12-8-4-3-7-11(12)15/h1-8H,(H,16,17)
PDVDKAQLDCYOJI-UHFFFAOYSA-N
CSID:464151, http://www.chemspider.com/Chemical-Structure.464151.html (accessed 04:49, Jul 6, 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) = 2.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 373.14 (Adapted Stein & Brown method) Melting Pt (deg C): 134.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.94E-006 (Modified Grain method) Subcooled liquid VP: 3.7E-005 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 199.1 log Kow used: 2.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 34.374 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.66E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.531E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.54 (KowWin est) Log Kaw used: -7.168 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.708 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7733 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8157 (months ) Biowin4 (Primary Survey Model) : 3.7436 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2454 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4952 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): 0.00493 Pa (3.7E-005 mm Hg) Log Koa (Koawin est ): 9.708 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000608 Octanol/air (Koa) model: 0.00125 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0215 Mackay model : 0.0464 Octanol/air (Koa) model: 0.0911 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.4175 E-12 cm3/molecule-sec Half-Life = 1.667 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.000 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0339 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 992.5 Log Koc: 2.997 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 = 1.254 (BCF = 17.94) log Kow used: 2.54 (estimated) Volatilization from Water: Henry LC: 1.66E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.386E+005 hours (2.244E+004 days) Half-Life from Model Lake : 5.876E+006 hours (2.448E+005 days) Removal In Wastewater Treatment: Total removal: 3.22 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.11 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00956 40 1000 Water 14.3 1.44e+003 1000 Soil 85.6 2.88e+003 1000 Sediment 0.132 1.3e+004 0 Persistence Time: 2.38e+003 hr
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