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N-(4-Chlorophenyl)-4-methoxybenzamide
COc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl
InChI=1S/C14H12ClNO2/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H,16,17)
SLUPKVWWWSXJBW-UHFFFAOYSA-N
CSID:306933, http://www.chemspider.com/Chemical-Structure.306933.html (accessed 17:44, May 23, 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) = 3.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.84 (Adapted Stein & Brown method) Melting Pt (deg C): 169.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.34E-008 (Modified Grain method) Subcooled liquid VP: 2.58E-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): 24.17 log Kow used: 3.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.8918 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.36E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.188E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.43 (KowWin est) Log Kaw used: -8.659 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.089 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7826 Biowin2 (Non-Linear Model) : 0.9017 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3019 (weeks-months) Biowin4 (Primary Survey Model) : 3.5874 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3277 Biowin6 (MITI Non-Linear Model): 0.1131 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7991 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): 0.000344 Pa (2.58E-006 mm Hg) Log Koa (Koawin est ): 12.089 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00872 Octanol/air (Koa) model: 0.301 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.24 Mackay model : 0.411 Octanol/air (Koa) model: 0.96 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.0578 E-12 cm3/molecule-sec Half-Life = 0.445 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.335 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.325 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 418.6 Log Koc: 2.622 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 = 1.937 (BCF = 86.59) log Kow used: 3.43 (estimated) Volatilization from Water: Henry LC: 5.36E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.767E+007 hours (7.363E+005 days) Half-Life from Model Lake : 1.928E+008 hours (8.032E+006 days) Removal In Wastewater Treatment: Total removal: 11.53 percent Total biodegradation: 0.17 percent Total sludge adsorption: 11.36 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 0.000559 10.7 1000 Water 11.7 900 1000 Soil 87.6 1.8e+003 1000 Sediment 0.72 8.1e+003 0 Persistence Time: 1.83e+003 hr
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