5-[(3,5-Dichlorobenzoyl)amino]-N,N-diethyl-2-(1-piperidinyl)benzamide
CCN(CC)C(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3cc(cc(c3)Cl)Cl
InChI=1S/C23H27Cl2N3O2/c1-3-27(4-2)23(30)20-15-19(8-9-21(20)28-10-6-5-7-11-28)26-22(29)16-12-17(24)14-18(25)13-16/h8-9,12-15H,3-7,10-11H2,1-2H3,(H,26,29)
WKTBOIBVUCVUJJ-UHFFFAOYSA-N
CSID:909885, http://www.chemspider.com/Chemical-Structure.909885.html (accessed 03:57, Apr 19, 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) = 5.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 609.72 (Adapted Stein & Brown method) Melting Pt (deg C): 263.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.92E-014 (Modified Grain method) Subcooled liquid VP: 4.11E-011 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): 0.01497 log Kow used: 5.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.026827 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.09E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.910E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.86 (KowWin est) Log Kaw used: -11.604 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.464 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3843 Biowin2 (Non-Linear Model) : 0.0143 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4319 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9930 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1935 Biowin6 (MITI Non-Linear Model): 0.0008 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.4589 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): 5.48E-009 Pa (4.11E-011 mm Hg) Log Koa (Koawin est ): 17.464 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 547 Octanol/air (Koa) model: 7.14E+004 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 = 118.8948 E-12 cm3/molecule-sec Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.080 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 : 4.151E+004 Log Koc: 4.618 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 = 3.816 (BCF = 6540) log Kow used: 5.86 (estimated) Volatilization from Water: Henry LC: 6.09E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.036E+010 hours (8.482E+008 days) Half-Life from Model Lake : 2.221E+011 hours (9.254E+009 days) Removal In Wastewater Treatment: Total removal: 91.45 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.69 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 0.0021 2.16 1000 Water 1.46 4.32e+003 1000 Soil 60.7 8.64e+003 1000 Sediment 37.8 3.89e+004 0 Persistence Time: 1.15e+004 hr
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