N,N'-(2,2-Dimethyl-1,3-propanediyl)bis[2-(4-chlorophenyl)acetamide]
CC(C)(CNC(=O)Cc1ccc(cc1)Cl)CNC(=O)Cc2ccc(cc2)Cl
InChI=1S/C21H24Cl2N2O2/c1-21(2,13-24-19(26)11-15-3-7-17(22)8-4-15)14-25-20(27)12-16-5-9-18(23)10-6-16/h3-10H,11-14H2,1-2H3,(H,24,26)(H,25,27)
AZJOWUHLIHMJIP-UHFFFAOYSA-N
CSID:1386531, http://www.chemspider.com/Chemical-Structure.1386531.html (accessed 12:06, 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) = 4.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 593.35 (Adapted Stein & Brown method) Melting Pt (deg C): 256.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.3E-013 (Modified Grain method) Subcooled liquid VP: 1.1E-010 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): 0.5497 log Kow used: 4.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8513 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.218E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.33 (KowWin est) Log Kaw used: -11.230 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.560 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5345 Biowin2 (Non-Linear Model) : 0.1199 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4156 (recalcitrant) Biowin4 (Primary Survey Model) : 3.0497 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1125 Biowin6 (MITI Non-Linear Model): 0.0028 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5526 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): 1.47E-008 Pa (1.1E-010 mm Hg) Log Koa (Koawin est ): 15.560 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 205 Octanol/air (Koa) model: 891 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 = 25.4981 E-12 cm3/molecule-sec Half-Life = 0.419 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.034 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 : 3.33E+005 Log Koc: 5.522 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 = 2.636 (BCF = 432.9) log Kow used: 4.33 (estimated) Volatilization from Water: Henry LC: 1.44E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.206E+009 hours (3.419E+008 days) Half-Life from Model Lake : 8.952E+010 hours (3.73E+009 days) Removal In Wastewater Treatment: Total removal: 46.89 percent Total biodegradation: 0.45 percent Total sludge adsorption: 46.44 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 0.00311 10.1 1000 Water 3.82 4.32e+003 1000 Soil 92.3 8.64e+003 1000 Sediment 3.83 3.89e+004 0 Persistence Time: 8.18e+003 hr
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