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3-Chloro-N-ethyl-N-(3-methylphenyl)benzamide
CCN(c1cccc(c1)C)C(=O)c2cccc(c2)Cl
InChI=1S/C16H16ClNO/c1-3-18(15-9-4-6-12(2)10-15)16(19)13-7-5-8-14(17)11-13/h4-11H,3H2,1-2H3
CAPJGGKWVRXBMY-UHFFFAOYSA-N
CSID:2253800, http://www.chemspider.com/Chemical-Structure.2253800.html (accessed 04:21, May 6, 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) = 4.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 391.48 (Adapted Stein & Brown method) Melting Pt (deg C): 140.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.02E-007 (Modified Grain method) Subcooled liquid VP: 1.34E-005 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): 4.418 log Kow used: 4.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.1888 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.72E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.354E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.21 (KowWin est) Log Kaw used: -5.954 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.164 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6996 Biowin2 (Non-Linear Model) : 0.5925 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2585 (weeks-months) Biowin4 (Primary Survey Model) : 3.4243 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1875 Biowin6 (MITI Non-Linear Model): 0.0477 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3229 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): 0.00179 Pa (1.34E-005 mm Hg) Log Koa (Koawin est ): 10.164 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00168 Octanol/air (Koa) model: 0.00358 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0572 Mackay model : 0.118 Octanol/air (Koa) model: 0.223 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.1254 E-12 cm3/molecule-sec Half-Life = 0.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.457 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0878 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2333 Log Koc: 3.368 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 = 2.542 (BCF = 348) log Kow used: 4.21 (estimated) Volatilization from Water: Henry LC: 2.72E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.562E+004 hours (1484 days) Half-Life from Model Lake : 3.887E+005 hours (1.62E+004 days) Removal In Wastewater Treatment: Total removal: 40.46 percent Total biodegradation: 0.40 percent Total sludge adsorption: 40.06 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 0.113 6.91 1000 Water 13.1 900 1000 Soil 81.7 1.8e+003 1000 Sediment 5.04 8.1e+003 0 Persistence Time: 1.48e+003 hr
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