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N-(2-Methylphenyl)benzamide
Cc1ccccc1NC(=O)c2ccccc2
InChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)15-14(16)12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)
BSASAHDKONAXQX-UHFFFAOYSA-N
CSID:64254, http://www.chemspider.com/Chemical-Structure.64254.html (accessed 15:30, May 10, 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) = 2.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 390.09 (Adapted Stein & Brown method) Melting Pt (deg C): 141.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.68E-007 (Modified Grain method) MP (exp database): 145.5 deg C Subcooled liquid VP: 1.45E-005 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): 195.4 log Kow used: 2.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.314 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.35E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.235E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.68 (KowWin est) Log Kaw used: -7.258 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.938 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0399 Biowin2 (Non-Linear Model) : 0.9938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6253 (weeks-months) Biowin4 (Primary Survey Model) : 3.6847 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3257 Biowin6 (MITI Non-Linear Model): 0.2143 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7443 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): 0.00193 Pa (1.45E-005 mm Hg) Log Koa (Koawin est ): 9.938 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00155 Octanol/air (Koa) model: 0.00213 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0531 Mackay model : 0.11 Octanol/air (Koa) model: 0.145 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.1343 E-12 cm3/molecule-sec Half-Life = 0.624 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.491 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0818 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 600.3 Log Koc: 2.778 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 = 1.367 (BCF = 23.26) log Kow used: 2.68 (estimated) Volatilization from Water: Henry LC: 1.35E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.304E+005 hours (2.627E+004 days) Half-Life from Model Lake : 6.877E+006 hours (2.865E+005 days) Removal In Wastewater Treatment: Total removal: 3.73 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.62 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 0.0113 15 1000 Water 14.7 900 1000 Soil 85.2 1.8e+003 1000 Sediment 0.169 8.1e+003 0 Persistence Time: 1.68e+003 hr
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