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N-[1-(1H-Benzimidazol-2-yl)-2-methylpropyl]-2,4-dichlorobenzamide
CC(C)C(c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3Cl)Cl
InChI=1S/C18H17Cl2N3O/c1-10(2)16(17-21-14-5-3-4-6-15(14)22-17)23-18(24)12-8-7-11(19)9-13(12)20/h3-10,16H,1-2H3,(H,21,22)(H,23,24)
WBKOQNOETNTRNU-UHFFFAOYSA-N
CSID:2998988, http://www.chemspider.com/Chemical-Structure.2998988.html (accessed 05:20, Jun 1, 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) = 4.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 595.46 (Adapted Stein & Brown method) Melting Pt (deg C): 257.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.83E-013 (Modified Grain method) Subcooled liquid VP: 9.69E-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): 0.4419 log Kow used: 4.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.86366 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.43E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.053E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.77 (KowWin est) Log Kaw used: -11.853 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.623 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4204 Biowin2 (Non-Linear Model) : 0.0300 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9312 (months ) Biowin4 (Primary Survey Model) : 3.1998 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2287 Biowin6 (MITI Non-Linear Model): 0.0016 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4963 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): 1.29E-008 Pa (9.69E-011 mm Hg) Log Koa (Koawin est ): 16.623 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 232 Octanol/air (Koa) model: 1.03E+004 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 = 104.2925 E-12 cm3/molecule-sec Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.231 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 : 2.652E+004 Log Koc: 4.424 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 = 2.972 (BCF = 937.3) log Kow used: 4.77 (estimated) Volatilization from Water: Henry LC: 3.43E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.249E+010 hours (1.354E+009 days) Half-Life from Model Lake : 3.544E+011 hours (1.477E+010 days) Removal In Wastewater Treatment: Total removal: 69.10 percent Total biodegradation: 0.62 percent Total sludge adsorption: 68.48 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 0.0022 2.46 1000 Water 7.1 1.44e+003 1000 Soil 79.9 2.88e+003 1000 Sediment 13 1.3e+004 0 Persistence Time: 3.19e+003 hr
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