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N-(4-Chlorophenyl)-2-pyridinecarboxamide
c1ccnc(c1)C(=O)Nc2ccc(cc2)Cl
InChI=1S/C12H9ClN2O/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11/h1-8H,(H,15,16)
YYKKCKLOYJLFAW-UHFFFAOYSA-N
CSID:1975081, http://www.chemspider.com/Chemical-Structure.1975081.html (accessed 00:31, 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) = 2.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 402.62 (Adapted Stein & Brown method) Melting Pt (deg C): 163.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.7E-007 (Modified Grain method) Subcooled liquid VP: 7.18E-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): 119.9 log Kow used: 2.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1687.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.18E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.894E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.80 (KowWin est) Log Kaw used: -10.317 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.117 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5099 Biowin2 (Non-Linear Model) : 0.2214 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2100 (months ) Biowin4 (Primary Survey Model) : 3.5334 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1850 Biowin6 (MITI Non-Linear Model): 0.0464 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2564 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): 0.000957 Pa (7.18E-006 mm Hg) Log Koa (Koawin est ): 13.117 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00313 Octanol/air (Koa) model: 3.21 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.102 Mackay model : 0.2 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.9626 E-12 cm3/molecule-sec Half-Life = 2.699 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 32.391 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.151 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 588 Log Koc: 2.769 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 = 1.455 (BCF = 28.51) log Kow used: 2.80 (estimated) Volatilization from Water: Henry LC: 1.18E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.568E+008 hours (3.153E+007 days) Half-Life from Model Lake : 8.256E+009 hours (3.44E+008 days) Removal In Wastewater Treatment: Total removal: 4.31 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.20 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 7.13e-006 64.8 1000 Water 11.9 1.44e+003 1000 Soil 87.9 2.88e+003 1000 Sediment 0.188 1.3e+004 0 Persistence Time: 2.58e+003 hr
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