Try beta.chemspider
N-[1-(2-Furylmethyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2,2-dimethylpropanamide
CC(C)(C)C(=O)NC1(C(=O)N(C(=O)N1)Cc2ccco2)C(F)(F)F
InChI=1S/C14H16F3N3O4/c1-12(2,3)9(21)18-13(14(15,16)17)10(22)20(11(23)19-13)7-8-5-4-6-24-8/h4-6H,7H2,1-3H3,(H,18,21)(H,19,23)
AGZHYBFJLKJRKT-UHFFFAOYSA-N
CSID:17480637, http://www.chemspider.com/Chemical-Structure.17480637.html (accessed 16:22, May 14, 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) = 1.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 532.54 (Adapted Stein & Brown method) Melting Pt (deg C): 227.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.72E-011 (Modified Grain method) Subcooled liquid VP: 4.08E-009 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): 350.7 log Kow used: 1.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23.663 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.16E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.544E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.48 (KowWin est) Log Kaw used: -10.534 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.014 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0959 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4403 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9708 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0369 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9326 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): 5.44E-007 Pa (4.08E-009 mm Hg) Log Koa (Koawin est ): 12.014 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.51 Octanol/air (Koa) model: 0.254 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 0.953 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 106.0570 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.210 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3110 Log Koc: 3.493 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 = 0.439 (BCF = 2.749) log Kow used: 1.48 (estimated) Volatilization from Water: Henry LC: 7.16E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.524E+009 hours (6.35E+007 days) Half-Life from Model Lake : 1.662E+010 hours (6.927E+008 days) Removal In Wastewater Treatment: Total removal: 1.97 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.87 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 0.00153 2.42 1000 Water 37.9 4.32e+003 1000 Soil 62 8.64e+003 1000 Sediment 0.0981 3.89e+004 0 Persistence Time: 2.02e+003 hr
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