2,2-Dichloro-N-[2-(4-nitrophenyl)ethyl]acetamide
c1cc(ccc1CCNC(=O)C(Cl)Cl)[N+](=O)[O-]
InChI=1S/C10H10Cl2N2O3/c11-9(12)10(15)13-6-5-7-1-3-8(4-2-7)14(16)17/h1-4,9H,5-6H2,(H,13,15)
DUDPYHGWFFLHRW-UHFFFAOYSA-N
CSID:113652, http://www.chemspider.com/Chemical-Structure.113652.html (accessed 20:02, Mar 28, 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 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 427.32 (Adapted Stein & Brown method) Melting Pt (deg C): 178.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.51E-008 (Modified Grain method) Subcooled liquid VP: 1.79E-006 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): 61.52 log Kow used: 2.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 621.04 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.29E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.673E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.39 (KowWin est) Log Kaw used: -10.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.668 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3526 Biowin2 (Non-Linear Model) : 0.0204 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9418 (months ) Biowin4 (Primary Survey Model) : 3.2752 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1951 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6185 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): 0.000239 Pa (1.79E-006 mm Hg) Log Koa (Koawin est ): 12.668 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0126 Octanol/air (Koa) model: 1.14 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.312 Mackay model : 0.501 Octanol/air (Koa) model: 0.989 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.1746 E-12 cm3/molecule-sec Half-Life = 0.879 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.543 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.407 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2049 Log Koc: 3.312 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 = 1.141 (BCF = 13.85) log Kow used: 2.39 (estimated) Volatilization from Water: Henry LC: 1.29E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.555E+008 hours (3.148E+007 days) Half-Life from Model Lake : 8.242E+009 hours (3.434E+008 days) Removal In Wastewater Treatment: Total removal: 2.82 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.72 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 1.24e-005 21.1 1000 Water 16.1 1.44e+003 1000 Soil 83.8 2.88e+003 1000 Sediment 0.113 1.3e+004 0 Persistence Time: 2.27e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight