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N-[2,5-Dioxo-1-phenyl-4-(trifluoromethyl)-4-imidazolidinyl]pentanamide
CCCCC(=O)NC1(C(=O)N(C(=O)N1)c2ccccc2)C(F)(F)F
InChI=1S/C15H16F3N3O3/c1-2-3-9-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,19,22)(H,20,24)
BLBJYGQMFMXEQW-UHFFFAOYSA-N
CSID:2893638, http://www.chemspider.com/Chemical-Structure.2893638.html (accessed 07:08, Jun 17, 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) = 0.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 552.69 (Adapted Stein & Brown method) Melting Pt (deg C): 237.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.36E-012 (Modified Grain method) Subcooled liquid VP: 1.24E-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): 1704 log Kow used: 0.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 32.735 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.08E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.686E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.70 (KowWin est) Log Kaw used: -9.070 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.770 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3264 Biowin2 (Non-Linear Model) : 0.0509 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9816 (months ) Biowin4 (Primary Survey Model) : 3.4040 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1269 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6443 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): 1.65E-007 Pa (1.24E-009 mm Hg) Log Koa (Koawin est ): 9.770 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 18.1 Octanol/air (Koa) model: 0.00145 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 0.104 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.0746 E-12 cm3/molecule-sec Half-Life = 0.561 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.729 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 : 1053 Log Koc: 3.023 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 = 0.500 (BCF = 3.162) log Kow used: 0.70 (estimated) Volatilization from Water: Henry LC: 2.08E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.215E+007 hours (2.173E+006 days) Half-Life from Model Lake : 5.69E+008 hours (2.371E+007 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.158 13.5 1000 Water 47.5 1.44e+003 1000 Soil 52.2 2.88e+003 1000 Sediment 0.097 1.3e+004 0 Persistence Time: 1.08e+003 hr
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