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2-[(2-Chlorobenzoyl)amino]-N,N-dimethylbenzamide
CN(C)C(=O)c1ccccc1NC(=O)c2ccccc2Cl
InChI=1S/C16H15ClN2O2/c1-19(2)16(21)12-8-4-6-10-14(12)18-15(20)11-7-3-5-9-13(11)17/h3-10H,1-2H3,(H,18,20)
COMKSWIVZQADGM-UHFFFAOYSA-N
CSID:632286, http://www.chemspider.com/Chemical-Structure.632286.html (accessed 17:23, May 16, 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) = 2.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 487.72 (Adapted Stein & Brown method) Melting Pt (deg C): 206.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.63E-010 (Modified Grain method) Subcooled liquid VP: 5.6E-008 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): 58.6 log Kow used: 2.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 25.305 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.507E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.70 (KowWin est) Log Kaw used: -9.935 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.635 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8413 Biowin2 (Non-Linear Model) : 0.8886 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2151 (months ) Biowin4 (Primary Survey Model) : 3.6564 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1374 Biowin6 (MITI Non-Linear Model): 0.0250 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6245 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): 7.47E-006 Pa (5.6E-008 mm Hg) Log Koa (Koawin est ): 12.635 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.402 Octanol/air (Koa) model: 1.06 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.936 Mackay model : 0.97 Octanol/air (Koa) model: 0.988 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.6844 E-12 cm3/molecule-sec Half-Life = 0.373 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.475 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.953 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 328.7 Log Koc: 2.517 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 = 1.378 (BCF = 23.9) log Kow used: 2.70 (estimated) Volatilization from Water: Henry LC: 2.84E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.587E+008 hours (1.495E+007 days) Half-Life from Model Lake : 3.913E+009 hours (1.631E+008 days) Removal In Wastewater Treatment: Total removal: 3.81 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.70 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 0.000347 8.95 1000 Water 12.7 1.44e+003 1000 Soil 87.2 2.88e+003 1000 Sediment 0.162 1.3e+004 0 Persistence Time: 2.52e+003 hr
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