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N-(2-Carbamoylphenyl)-3,4-dichlorobenzamide
c1ccc(c(c1)C(=O)N)NC(=O)c2ccc(c(c2)Cl)Cl
InChI=1S/C14H10Cl2N2O2/c15-10-6-5-8(7-11(10)16)14(20)18-12-4-2-1-3-9(12)13(17)19/h1-7H,(H2,17,19)(H,18,20)
OUYFJRVWICJFKW-UHFFFAOYSA-N
CSID:761540, http://www.chemspider.com/Chemical-Structure.761540.html (accessed 20:12, Jul 1, 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) = 3.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 527.33 (Adapted Stein & Brown method) Melting Pt (deg C): 225.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.95E-011 (Modified Grain method) Subcooled liquid VP: 5.55E-009 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): 14.85 log Kow used: 3.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23.132 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.37E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.082E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.35 (KowWin est) Log Kaw used: -10.748 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.098 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6558 Biowin2 (Non-Linear Model) : 0.4926 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9944 (months ) Biowin4 (Primary Survey Model) : 3.4819 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1155 Biowin6 (MITI Non-Linear Model): 0.0144 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7722 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): 7.4E-007 Pa (5.55E-009 mm Hg) Log Koa (Koawin est ): 14.098 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.05 Octanol/air (Koa) model: 30.8 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.6839 E-12 cm3/molecule-sec Half-Life = 0.782 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.380 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 309.3 Log Koc: 2.490 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 = 1.882 (BCF = 76.23) log Kow used: 3.35 (estimated) Volatilization from Water: Henry LC: 4.37E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.356E+009 hours (9.815E+007 days) Half-Life from Model Lake : 2.57E+010 hours (1.071E+009 days) Removal In Wastewater Treatment: Total removal: 10.04 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.88 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 0.000508 18.8 1000 Water 9.52 1.44e+003 1000 Soil 89.9 2.88e+003 1000 Sediment 0.561 1.3e+004 0 Persistence Time: 2.79e+003 hr
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