Try beta.chemspider
2-(3,5-Dichlorophenoxy)-N-(3,4-dichlorophenyl)-N-(4-piperidinyl)acetamide
C1CNCCC1N(C2=CC(=C(C=C2)Cl)Cl)C(=O)COC3=CC(=CC(=C3)Cl)Cl
InChI=1S/C19H18Cl4N2O2/c20-12-7-13(21)9-16(8-12)27-11-19(26)25(14-3-5-24-6-4-14)15-1-2-17(22)18(23)10-15/h1-2,7-10,14,24H,3-6,11H2
QROSISYERPCHRH-UHFFFAOYSA-N
CSID:8270710, http://www.chemspider.com/Chemical-Structure.8270710.html (accessed 00:40, Jul 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) = 5.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 529.91 (Adapted Stein & Brown method) Melting Pt (deg C): 226.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.28E-011 (Modified Grain method) Subcooled liquid VP: 4.77E-009 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): 0.07771 log Kow used: 5.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2859 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.72E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.489E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.03 (KowWin est) Log Kaw used: -10.954 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.984 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3004 Biowin2 (Non-Linear Model) : 0.0046 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2945 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8656 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0513 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9728 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): 6.36E-007 Pa (4.77E-009 mm Hg) Log Koa (Koawin est ): 15.984 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.72 Octanol/air (Koa) model: 2.37E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 116.6925 E-12 cm3/molecule-sec Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.100 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.898E+004 Log Koc: 4.898 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 = 3.172 (BCF = 1485) log Kow used: 5.03 (estimated) Volatilization from Water: Henry LC: 2.72E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.557E+009 hours (1.899E+008 days) Half-Life from Model Lake : 4.971E+010 hours (2.071E+009 days) Removal In Wastewater Treatment: Total removal: 78.63 percent Total biodegradation: 0.68 percent Total sludge adsorption: 77.95 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 0.000108 2.2 1000 Water 2.86 4.32e+003 1000 Soil 82.3 8.64e+003 1000 Sediment 14.8 3.89e+004 0 Persistence Time: 9.51e+003 hr
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