Try beta.chemspider
2,5-Dichloro-N-[2-(1-piperidinyl)phenyl]benzamide
c1ccc(c(c1)NC(=O)c2cc(ccc2Cl)Cl)N3CCCCC3
InChI=1S/C18H18Cl2N2O/c19-13-8-9-15(20)14(12-13)18(23)21-16-6-2-3-7-17(16)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,23)
QYIGSAZMJURIJA-UHFFFAOYSA-N
CSID:776902, http://www.chemspider.com/Chemical-Structure.776902.html (accessed 02:03, May 3, 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) = 5.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 495.98 (Adapted Stein & Brown method) Melting Pt (deg C): 210.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.69E-010 (Modified Grain method) Subcooled liquid VP: 3.47E-008 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): 0.06606 log Kow used: 5.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11777 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.567E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.83 (KowWin est) Log Kaw used: -9.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.177 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2213 Biowin2 (Non-Linear Model) : 0.0040 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7051 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9306 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1166 Biowin6 (MITI Non-Linear Model): 0.0027 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.8793 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): 4.63E-006 Pa (3.47E-008 mm Hg) Log Koa (Koawin est ): 15.177 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.648 Octanol/air (Koa) model: 369 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.959 Mackay model : 0.981 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 102.6378 E-12 cm3/molecule-sec Half-Life = 0.104 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.251 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.97 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.116E+004 Log Koc: 4.326 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 = 3.787 (BCF = 6125) log Kow used: 5.83 (estimated) Volatilization from Water: Henry LC: 1.1E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.947E+007 hours (4.145E+006 days) Half-Life from Model Lake : 1.085E+009 hours (4.521E+007 days) Removal In Wastewater Treatment: Total removal: 91.27 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.51 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 0.000427 2.5 1000 Water 1.43 4.32e+003 1000 Soil 63.2 8.64e+003 1000 Sediment 35.4 3.89e+004 0 Persistence Time: 1.22e+004 hr
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