Try beta.chemspider
N-{[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl}-2,6-difluorobenzamide
c1cc(c(c(c1)F)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OC(C(F)F)(F)F)Cl)F
InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
RGNPBRKPHBKNKX-UHFFFAOYSA-N
CSID:82839, http://www.chemspider.com/Chemical-Structure.82839.html (accessed 14:55, Jun 16, 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) = 5.64 Log Kow (Exper. database match) = 5.68 Exper. Ref: Tomlin,C (1997) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 539.58 (Adapted Stein & Brown method) Melting Pt (deg C): 231.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.5E-011 (Modified Grain method) MP (exp database): 203.5 deg C VP (exp database): 4.43E-07 mm Hg at 25 deg C Subcooled liquid VP: 2.58E-005 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.01786 log Kow used: 5.68 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.027 mg/L (18 deg C) Exper. Ref: TOMLIN,C (1994) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.005806 mg/L Wat Sol (Exper. database match) = 0.03 Exper. Ref: TOMLIN,C (1994) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E-011 atm-m3/mole Group Method: Incomplete Exper Database: 9.9eE-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.189E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.68 (exp database) Log Kaw used: 2.607 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.073 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.5088 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.6828 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8023 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2899 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7677 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): 0.00344 Pa (2.58E-005 mm Hg) Log Koa (Koawin est ): 3.073 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000872 Octanol/air (Koa) model: 2.9E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0305 Mackay model : 0.0652 Octanol/air (Koa) model: 2.32E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.0492 E-12 cm3/molecule-sec Half-Life = 0.508 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.098 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0479 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.644E+004 Log Koc: 4.216 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 = 3.674 (BCF = 4716) log Kow used: 5.68 (expkow database) Volatilization from Water: Henry LC: 9.9 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.191 hours Half-Life from Model Lake : 204 hours (8.499 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.97 percent Total biodegradation: 0.17 percent Total sludge adsorption: 56.99 percent Total to Air: 42.81 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.587 12.2 1000 Water 4.74 4.32e+003 1000 Soil 3.76 8.64e+003 1000 Sediment 90.9 3.89e+004 0 Persistence Time: 2.06e+003 hr
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