Try beta.chemspider
N-[(4-Methoxyphenyl)carbamoyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
COc1ccc(cc1)NC(=O)NC(=O)c2cc(ccc2OCC(F)(F)F)OCC(F)(F)F
InChI=1S/C19H16F6N2O5/c1-30-12-4-2-11(3-5-12)26-17(29)27-16(28)14-8-13(31-9-18(20,21)22)6-7-15(14)32-10-19(23,24)25/h2-8H,9-10H2,1H3,(H2,26,27,28,29)
QBCLLJUTLVNWAO-UHFFFAOYSA-N
CSID:2009115, http://www.chemspider.com/Chemical-Structure.2009115.html (accessed 00:18, Jul 7, 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) = 4.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 564.12 (Adapted Stein & Brown method) Melting Pt (deg C): 242.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.78E-012 (Modified Grain method) Subcooled liquid VP: 6.3E-010 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): 0.137 log Kow used: 4.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0010674 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.67E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.245E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.61 (KowWin est) Log Kaw used: -10.962 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.572 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1196 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.9683 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8575 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1715 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6745 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): 8.4E-008 Pa (6.3E-010 mm Hg) Log Koa (Koawin est ): 15.572 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 35.7 Octanol/air (Koa) model: 916 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.4947 E-12 cm3/molecule-sec Half-Life = 0.193 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.313 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.182E+004 Log Koc: 4.339 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 = 2.846 (BCF = 701.6) log Kow used: 4.61 (estimated) Volatilization from Water: Henry LC: 2.67E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.735E+009 hours (1.973E+008 days) Half-Life from Model Lake : 5.166E+010 hours (2.152E+009 days) Removal In Wastewater Treatment: Total removal: 61.67 percent Total biodegradation: 0.56 percent Total sludge adsorption: 61.10 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 0.000926 4.62 1000 Water 3.5 4.32e+003 1000 Soil 89.6 8.64e+003 1000 Sediment 6.94 3.89e+004 0 Persistence Time: 8.58e+003 hr
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