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- Double-bond stereo
5-Bromo-N'-[(E)-2-furylmethylene]-2-hydroxybenzohydrazide
c1cc(oc1)/C=N/NC(=O)c2cc(ccc2O)Br
InChI=1S/C12H9BrN2O3/c13-8-3-4-11(16)10(6-8)12(17)15-14-7-9-2-1-5-18-9/h1-7,16H,(H,15,17)/b14-7+
CFXZIALXQYYFQZ-VGOFMYFVSA-N
CSID:5264872, http://www.chemspider.com/Chemical-Structure.5264872.html (accessed 07:40, Apr 23, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 452.27 (Adapted Stein & Brown method) Melting Pt (deg C): 190.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-009 (Modified Grain method) Subcooled liquid VP: 7.08E-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): 58.25 log Kow used: 3.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6844.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.49E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.147E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.34 (KowWin est) Log Kaw used: -8.992 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.332 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6059 Biowin2 (Non-Linear Model) : 0.1043 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4364 (weeks-months) Biowin4 (Primary Survey Model) : 3.2879 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0631 Biowin6 (MITI Non-Linear Model): 0.0315 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3773 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): 9.44E-006 Pa (7.08E-008 mm Hg) Log Koa (Koawin est ): 12.332 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.318 Octanol/air (Koa) model: 0.527 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.92 Mackay model : 0.962 Octanol/air (Koa) model: 0.977 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 112.3725 E-12 cm3/molecule-sec Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.142 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.941 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.073E+004 Log Koc: 4.031 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 = 1.870 (BCF = 74.14) log Kow used: 3.34 (estimated) Volatilization from Water: Henry LC: 2.49E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.134E+007 hours (1.723E+006 days) Half-Life from Model Lake : 4.51E+008 hours (1.879E+007 days) Removal In Wastewater Treatment: Total removal: 9.87 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.72 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 0.00304 2.28 1000 Water 12.1 900 1000 Soil 87.3 1.8e+003 1000 Sediment 0.601 8.1e+003 0 Persistence Time: 1.78e+003 hr
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