Try beta.chemspider
2-{[(1,6-Dibromo-2-naphthyl)oxy]acetyl}-N-phenylhydrazinecarboxamide
c1ccc(cc1)NC(=O)NNC(=O)COc2ccc3cc(ccc3c2Br)Br
InChI=1S/C19H15Br2N3O3/c20-13-7-8-15-12(10-13)6-9-16(18(15)21)27-11-17(25)23-24-19(26)22-14-4-2-1-3-5-14/h1-10H,11H2,(H,23,25)(H2,22,24,26)
QHBRUHPPTCKZPZ-UHFFFAOYSA-N
CSID:2578949, http://www.chemspider.com/Chemical-Structure.2578949.html (accessed 22:04, May 21, 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) = 4.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 642.29 (Adapted Stein & Brown method) Melting Pt (deg C): 279.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.94E-015 (Modified Grain method) Subcooled liquid VP: 5.72E-012 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): 0.04509 log Kow used: 4.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7508 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.29E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.287E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.97 (KowWin est) Log Kaw used: -16.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.248 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5521 Biowin2 (Non-Linear Model) : 0.0355 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8012 (months ) Biowin4 (Primary Survey Model) : 2.9112 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4676 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3040 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): 7.63E-010 Pa (5.72E-012 mm Hg) Log Koa (Koawin est ): 21.248 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.93E+003 Octanol/air (Koa) model: 4.35E+008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.4682 E-12 cm3/molecule-sec Half-Life = 0.163 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.961 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 : 2.486E+004 Log Koc: 4.395 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 = 3.127 (BCF = 1340) log Kow used: 4.97 (estimated) Volatilization from Water: Henry LC: 1.29E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.008E+015 hours (4.2E+013 days) Half-Life from Model Lake : 1.1E+016 hours (4.581E+014 days) Removal In Wastewater Treatment: Total removal: 76.73 percent Total biodegradation: 0.67 percent Total sludge adsorption: 76.06 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 1.57e-006 3.92 1000 Water 6.27 1.44e+003 1000 Soil 75.8 2.88e+003 1000 Sediment 17.9 1.3e+004 0 Persistence Time: 3.47e+003 hr
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