N'-[(3Z)-2-Oxo-1,2-dihydro-3H-indol-3-ylidene]-2-phenoxyacetohydrazide
c1ccc(cc1)OCC(=O)N/N=C\2/c3ccccc3NC2=O
InChI=1S/C16H13N3O3/c20-14(10-22-11-6-2-1-3-7-11)18-19-15-12-8-4-5-9-13(12)17-16(15)21/h1-9H,10H2,(H,18,20)(H,17,19,21)
NYYPBTRDNIAYIB-UHFFFAOYSA-N
CSID:4488351, http://www.chemspider.com/Chemical-Structure.4488351.html (accessed 14:45, Mar 29, 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) = 2.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 521.34 (Adapted Stein & Brown method) Melting Pt (deg C): 222.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.07E-011 (Modified Grain method) Subcooled liquid VP: 7.89E-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): 240.1 log Kow used: 2.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11509 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.60E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.823E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.03 (KowWin est) Log Kaw used: -9.726 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.756 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8670 Biowin2 (Non-Linear Model) : 0.9460 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5105 (weeks-months) Biowin4 (Primary Survey Model) : 3.5037 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2289 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4870 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): 1.05E-006 Pa (7.89E-009 mm Hg) Log Koa (Koawin est ): 11.756 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.85 Octanol/air (Koa) model: 0.14 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.99 Mackay model : 0.996 Octanol/air (Koa) model: 0.918 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 188.6271 E-12 cm3/molecule-sec Half-Life = 0.057 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.680 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.985000 E-17 cm3/molecule-sec Half-Life = 1.163 Days (at 7E11 mol/cm3) Half-Life = 27.923 Hrs Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.676E+004 Log Koc: 4.754 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 = 0.865 (BCF = 7.334) log Kow used: 2.03 (estimated) Volatilization from Water: Henry LC: 4.6E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.187E+008 hours (9.113E+006 days) Half-Life from Model Lake : 2.386E+009 hours (9.942E+007 days) Removal In Wastewater Treatment: Total removal: 2.27 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.18 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 0.00654 1.3 1000 Water 23.1 900 1000 Soil 76.8 1.8e+003 1000 Sediment 0.0926 8.1e+003 0 Persistence Time: 1.35e+003 hr
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