Try beta.chemspider
N-{1,1,1,3,3,3-Hexafluoro-2-[(4-fluorobenzyl)oxy]-2-propanyl}benzamide
c1ccc(cc1)C(=O)NC(C(F)(F)F)(C(F)(F)F)OCc2ccc(cc2)F
InChI=1S/C17H12F7NO2/c18-13-8-6-11(7-9-13)10-27-15(16(19,20)21,17(22,23)24)25-14(26)12-4-2-1-3-5-12/h1-9H,10H2,(H,25,26)
CPHPCFOAQXGDJZ-UHFFFAOYSA-N
CSID:2095898, http://www.chemspider.com/Chemical-Structure.2095898.html (accessed 18:01, Jun 16, 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) = 5.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 406.32 (Adapted Stein & Brown method) Melting Pt (deg C): 163.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.22E-007 (Modified Grain method) Subcooled liquid VP: 5.84E-006 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): 0.09688 log Kow used: 5.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.20993 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.192E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.30 (KowWin est) Log Kaw used: -6.320 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.620 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.4845 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.6398 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7892 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1282 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9713 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): 0.000779 Pa (5.84E-006 mm Hg) Log Koa (Koawin est ): 11.620 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00385 Octanol/air (Koa) model: 0.102 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.122 Mackay model : 0.236 Octanol/air (Koa) model: 0.891 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.4536 E-12 cm3/molecule-sec Half-Life = 1.961 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.535 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.179 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.578E+004 Log Koc: 4.661 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 = 3.384 (BCF = 2418) log Kow used: 5.30 (estimated) Volatilization from Water: Henry LC: 1.17E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.949E+004 hours (4146 days) Half-Life from Model Lake : 1.086E+006 hours (4.523E+004 days) Removal In Wastewater Treatment: Total removal: 85.18 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.45 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 0.016 47.1 1000 Water 2.44 4.32e+003 1000 Soil 75 8.64e+003 1000 Sediment 22.5 3.89e+004 0 Persistence Time: 9.91e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight