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3-[(4-Bromophenoxy)methyl]benzohydrazide
c1cc(cc(c1)C(=O)NN)COc2ccc(cc2)Br
InChI=1S/C14H13BrN2O2/c15-12-4-6-13(7-5-12)19-9-10-2-1-3-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
IMRIYDAFYNLOEZ-UHFFFAOYSA-N
CSID:3531616, http://www.chemspider.com/Chemical-Structure.3531616.html (accessed 02:22, Jul 7, 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) = 3.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 463.61 (Adapted Stein & Brown method) Melting Pt (deg C): 195.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.62E-009 (Modified Grain method) Subcooled liquid VP: 2.25E-007 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): 22.74 log Kow used: 3.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2045.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.76E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.727E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.05 (KowWin est) Log Kaw used: -12.143 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.193 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6162 Biowin2 (Non-Linear Model) : 0.2726 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2953 (weeks-months) Biowin4 (Primary Survey Model) : 3.3080 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2443 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2433 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): 3E-005 Pa (2.25E-007 mm Hg) Log Koa (Koawin est ): 15.193 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.1 Octanol/air (Koa) model: 383 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.783 Mackay model : 0.889 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.5263 E-12 cm3/molecule-sec Half-Life = 0.548 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.573 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.836 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4620 Log Koc: 3.665 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 = 1.651 (BCF = 44.8) log Kow used: 3.05 (estimated) Volatilization from Water: Henry LC: 1.76E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.962E+010 hours (2.484E+009 days) Half-Life from Model Lake : 6.504E+011 hours (2.71E+010 days) Removal In Wastewater Treatment: Total removal: 6.14 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.01 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 8.21e-007 13.1 1000 Water 12.7 900 1000 Soil 87 1.8e+003 1000 Sediment 0.322 8.1e+003 0 Persistence Time: 1.79e+003 hr
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