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N,N~2~-Diallyl-N~2~-(dichloroacetyl)glycinamide
C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl
InChI=1S/C10H14Cl2N2O2/c1-3-5-13-8(15)7-14(6-4-2)10(16)9(11)12/h3-4,9H,1-2,5-7H2,(H,13,15)
ZAWPDPLWGKAAHU-UHFFFAOYSA-N
CSID:84421, http://www.chemspider.com/Chemical-Structure.84421.html (accessed 19:20, Apr 26, 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) = 1.45 Log Kow (Exper. database match) = 1.00 Exper. Ref: Tomlin,C (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.10 (Adapted Stein & Brown method) Melting Pt (deg C): 160.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.8E-007 (Modified Grain method) Subcooled liquid VP: 4.46E-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): 2724 log Kow used: 1.00 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2.42e+004 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1994) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 77008 mg/L Wat Sol (Exper. database match) = 24200.00 Exper. Ref: TOMLIN,C (1994) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.305E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.00 (exp database) Log Kaw used: -8.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.302 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8188 Biowin2 (Non-Linear Model) : 0.7152 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1585 (months ) Biowin4 (Primary Survey Model) : 3.6748 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3135 Biowin6 (MITI Non-Linear Model): 0.0364 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8580 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): 0.000595 Pa (4.46E-006 mm Hg) Log Koa (Koawin est ): 9.302 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00504 Octanol/air (Koa) model: 0.000492 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.154 Mackay model : 0.288 Octanol/air (Koa) model: 0.0379 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 83.8410 E-12 cm3/molecule-sec Half-Life = 0.128 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.531 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec Half-Life = 0.477 Days (at 7E11 mol/cm3) Half-Life = 11.460 Hrs Fraction sorbed to airborne particulates (phi): 0.221 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 425.3 Log Koc: 2.629 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 = 0.500 (BCF = 3.162) log Kow used: 1.00 (expkow database) Volatilization from Water: Henry LC: 1.22E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.814E+006 hours (3.256E+005 days) Half-Life from Model Lake : 8.525E+007 hours (3.552E+006 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 0.00157 2.42 1000 Water 43.3 1.44e+003 1000 Soil 56.6 2.88e+003 1000 Sediment 0.0927 1.3e+004 0 Persistence Time: 1.28e+003 hr
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