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N-(Cyclohexylmethyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]acetamide
CC1(C(=O)N(C(=O)N1)CC(=O)NCC2CCCCC2)c3cc(ccc3F)F
InChI=1S/C19H23F2N3O3/c1-19(14-9-13(20)7-8-15(14)21)17(26)24(18(27)23-19)11-16(25)22-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,22,25)(H,23,27)
LYLKKXFURXDLEP-UHFFFAOYSA-N
CSID:11032680, http://www.chemspider.com/Chemical-Structure.11032680.html (accessed 20:09, Jun 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) = 3.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 607.11 (Adapted Stein & Brown method) Melting Pt (deg C): 262.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.2E-013 (Modified Grain method) Subcooled liquid VP: 4.81E-011 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): 4.303 log Kow used: 3.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.6443 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.08E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.392E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.49 (KowWin est) Log Kaw used: -12.481 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.971 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.0268 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2805 (recalcitrant) Biowin4 (Primary Survey Model) : 3.3793 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0474 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9405 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): 6.41E-009 Pa (4.81E-011 mm Hg) Log Koa (Koawin est ): 15.971 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 468 Octanol/air (Koa) model: 2.3E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.1042 E-12 cm3/molecule-sec Half-Life = 0.381 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.567 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.286E+004 Log Koc: 4.517 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 = 1.986 (BCF = 96.88) log Kow used: 3.49 (estimated) Volatilization from Water: Henry LC: 8.08E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.411E+011 hours (5.881E+009 days) Half-Life from Model Lake : 1.54E+012 hours (6.416E+010 days) Removal In Wastewater Treatment: Total removal: 12.81 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.62 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 0.000484 9.13 1000 Water 4.85 4.32e+003 1000 Soil 94.6 8.64e+003 1000 Sediment 0.513 3.89e+004 0 Persistence Time: 7.53e+003 hr
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