Try beta.chemspider
N-[(3,5-Dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide
c1cc(c(c(c1)F)C(=O)NC(=O)Nc2cc(c(c(c2F)Cl)F)Cl)F
InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
CJDWRQLODFKPEL-UHFFFAOYSA-N
CSID:82833, http://www.chemspider.com/Chemical-Structure.82833.html (accessed 01:25, Apr 25, 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) = 4.64 Log Kow (Exper. database match) = 4.56 Exper. Ref: Saito,H et al. (1993) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 513.03 (Adapted Stein & Brown method) Melting Pt (deg C): 218.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.89E-011 (Modified Grain method) MP (exp database): 222.5 deg C VP (exp database): 6.00E-12 mm Hg at 20 deg C Subcooled liquid VP: 5.39E-010 mm Hg (20 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5109 log Kow used: 4.56 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.019 mg/L (23 deg C) Exper. Ref: TOMLIN,C (1997) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.59828 mg/L Wat Sol (Exper. database match) = 0.02 Exper. Ref: TOMLIN,C (1997) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.20E-011 atm-m3/mole Group Method: Incomplete Exper Database: 1.58E-10 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.708E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.56 (exp database) Log Kaw used: -8.190 (exp database) Log Koa (KOAWIN v1.10 estimate): 12.750 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -3.0387 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.3160 (recalcitrant) Biowin4 (Primary Survey Model) : 3.0210 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3069 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3502 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): 7.19E-008 Pa (5.39E-010 mm Hg) Log Koa (Koawin est ): 12.750 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 41.7 Octanol/air (Koa) model: 1.38 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 0.991 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.1940 E-12 cm3/molecule-sec Half-Life = 1.727 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.722 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4887 Log Koc: 3.689 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 = 2.811 (BCF = 647.4) log Kow used: 4.56 (expkow database) Volatilization from Water: Henry LC: 1.58E-010 atm-m3/mole (Henry experimental database) Half-Life from Model River: 7.234E+006 hours (3.014E+005 days) Half-Life from Model Lake : 7.892E+007 hours (3.288E+006 days) Removal In Wastewater Treatment: Total removal: 59.15 percent Total biodegradation: 0.55 percent Total sludge adsorption: 58.60 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 0.021 41.4 1000 Water 3.68 4.32e+003 1000 Soil 89.8 8.64e+003 1000 Sediment 6.48 3.89e+004 0 Persistence Time: 8.14e+003 hr
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