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2-Chloro-N-(3-methylphenyl)benzamide
Cc1cccc(c1)NC(=O)c2ccccc2Cl
InChI=1S/C14H12ClNO/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-9H,1H3,(H,16,17)
QMUDBMHUUBUXHG-UHFFFAOYSA-N
CSID:192526, http://www.chemspider.com/Chemical-Structure.192526.html (accessed 01:22, 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) = 3.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 408.78 (Adapted Stein & Brown method) Melting Pt (deg C): 159.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.14E-007 (Modified Grain method) Subcooled liquid VP: 5.08E-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): 11.86 log Kow used: 3.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.9114 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.99E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.834E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.89 (KowWin est) Log Kaw used: -7.389 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.279 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7130 Biowin2 (Non-Linear Model) : 0.6841 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3205 (weeks-months) Biowin4 (Primary Survey Model) : 3.4648 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2212 Biowin6 (MITI Non-Linear Model): 0.0671 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2693 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): 0.000677 Pa (5.08E-006 mm Hg) Log Koa (Koawin est ): 11.279 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00443 Octanol/air (Koa) model: 0.0467 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.138 Mackay model : 0.262 Octanol/air (Koa) model: 0.789 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.8009 E-12 cm3/molecule-sec Half-Life = 0.316 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.797 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.2 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 972.2 Log Koc: 2.988 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 = 2.297 (BCF = 198) log Kow used: 3.89 (estimated) Volatilization from Water: Henry LC: 9.99E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.187E+005 hours (3.828E+004 days) Half-Life from Model Lake : 1.002E+007 hours (4.176E+005 days) Removal In Wastewater Treatment: Total removal: 25.31 percent Total biodegradation: 0.28 percent Total sludge adsorption: 25.02 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 0.00842 7.59 1000 Water 11.3 900 1000 Soil 86.7 1.8e+003 1000 Sediment 2.05 8.1e+003 0 Persistence Time: 1.84e+003 hr
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