N-(3,4-Dichlorophenyl)acetamide
CC(=O)Nc1ccc(c(c1)Cl)Cl
InChI=1S/C8H7Cl2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)
SCYGGCAQZFJGRF-UHFFFAOYSA-N
CSID:15670, http://www.chemspider.com/Chemical-Structure.15670.html (accessed 21:24, Apr 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) = 2.39 Log Kow (Exper. database match) = 3.00 Exper. Ref: Nakagawa,Y et al. (1992) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 343.26 (Adapted Stein & Brown method) Melting Pt (deg C): 123.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.02E-005 (Modified Grain method) Subcooled liquid VP: 0.000191 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): 114.3 log Kow used: 3.00 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 464.41 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.39E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.745E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.00 (exp database) Log Kaw used: -6.858 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.858 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4957 Biowin2 (Non-Linear Model) : 0.2264 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2808 (weeks-months) Biowin4 (Primary Survey Model) : 3.4281 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2691 Biowin6 (MITI Non-Linear Model): 0.0733 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9022 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): 0.0255 Pa (0.000191 mm Hg) Log Koa (Koawin est ): 9.858 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000118 Octanol/air (Koa) model: 0.00177 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00424 Mackay model : 0.00934 Octanol/air (Koa) model: 0.124 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.6522 E-12 cm3/molecule-sec Half-Life = 4.033 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 48.394 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00679 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 102 Log Koc: 2.009 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 = 1.610 (BCF = 40.74) log Kow used: 3.00 (expkow database) Volatilization from Water: Henry LC: 3.39E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.467E+005 hours (1.028E+004 days) Half-Life from Model Lake : 2.692E+006 hours (1.121E+005 days) Removal In Wastewater Treatment: Total removal: 5.69 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.57 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 0.0256 96.8 1000 Water 12.9 900 1000 Soil 86.8 1.8e+003 1000 Sediment 0.294 8.1e+003 0 Persistence Time: 1.76e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight