Try beta.chemspider
N-(3,4-Dichlorophenyl)-1-(2-methylbenzoyl)-4-piperidinecarboxamide
Cc1ccccc1C(=O)N2CCC(CC2)C(=O)Nc3ccc(c(c3)Cl)Cl
InChI=1S/C20H20Cl2N2O2/c1-13-4-2-3-5-16(13)20(26)24-10-8-14(9-11-24)19(25)23-15-6-7-17(21)18(22)12-15/h2-7,12,14H,8-11H2,1H3,(H,23,25)
HNBHGXHXOZJPIE-UHFFFAOYSA-N
CSID:1112423, http://www.chemspider.com/Chemical-Structure.1112423.html (accessed 05:41, Jun 13, 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) = 4.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 556.93 (Adapted Stein & Brown method) Melting Pt (deg C): 239.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.68E-012 (Modified Grain method) Subcooled liquid VP: 9.66E-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): 1.052 log Kow used: 4.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.69844 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.86E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.290E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.12 (KowWin est) Log Kaw used: -10.441 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.561 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6714 Biowin2 (Non-Linear Model) : 0.3500 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7380 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2948 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0040 Biowin6 (MITI Non-Linear Model): 0.0042 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5846 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): 1.29E-007 Pa (9.66E-010 mm Hg) Log Koa (Koawin est ): 14.561 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 23.3 Octanol/air (Koa) model: 89.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.9089 E-12 cm3/molecule-sec Half-Life = 0.249 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.991 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.614E+004 Log Koc: 4.208 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 = 2.472 (BCF = 296.4) log Kow used: 4.12 (estimated) Volatilization from Water: Henry LC: 8.86E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.307E+009 hours (5.447E+007 days) Half-Life from Model Lake : 1.426E+010 hours (5.942E+008 days) Removal In Wastewater Treatment: Total removal: 35.83 percent Total biodegradation: 0.37 percent Total sludge adsorption: 35.46 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 0.00205 5.98 1000 Water 4.02 4.32e+003 1000 Soil 93.6 8.64e+003 1000 Sediment 2.36 3.89e+004 0 Persistence Time: 7.99e+003 hr
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