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- Double-bond stereo
(2E)-N-Hydroxy-2-(3-iodobenzylidene)hydrazinecarboxamide
C1=CC(=CC(=C1)I)/C=N/NC(=O)NO
InChI=1S/C8H8IN3O2/c9-7-3-1-2-6(4-7)5-10-11-8(13)12-14/h1-5,14H,(H2,11,12,13)/b10-5+
TZOBVZSLULCTNE-BJMVGYQFSA-N
CSID:9263201, http://www.chemspider.com/Chemical-Structure.9263201.html (accessed 06:18, Jul 24, 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) = 2.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 423.66 (Adapted Stein & Brown method) Melting Pt (deg C): 162.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.45E-009 (Modified Grain method) Subcooled liquid VP: 3.71E-008 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): 191.6 log Kow used: 2.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2451.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.71E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.038E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.08 (KowWin est) Log Kaw used: -9.955 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.035 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1563 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4801 (weeks-months) Biowin4 (Primary Survey Model) : 3.2805 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5564 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4875 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): 4.95E-006 Pa (3.71E-008 mm Hg) Log Koa (Koawin est ): 12.035 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.606 Octanol/air (Koa) model: 0.266 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.956 Mackay model : 0.98 Octanol/air (Koa) model: 0.955 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.9900 E-12 cm3/molecule-sec Half-Life = 1.530 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.362 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.968 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1880 Log Koc: 3.274 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 = 0.902 (BCF = 7.984) log Kow used: 2.08 (estimated) Volatilization from Water: Henry LC: 2.71E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.774E+008 hours (1.572E+007 days) Half-Life from Model Lake : 4.117E+009 hours (1.715E+008 days) Removal In Wastewater Treatment: Total removal: 2.33 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.23 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 0.000716 36.7 1000 Water 21.6 900 1000 Soil 78.3 1.8e+003 1000 Sediment 0.0921 8.1e+003 0 Persistence Time: 1.46e+003 hr
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