4-Aminobenzohydrazide
c1cc(ccc1C(=O)NN)N
InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
WPBZMCGPFHZRHJ-UHFFFAOYSA-N
CSID:20160, http://www.chemspider.com/Chemical-Structure.20160.html (accessed 19:20, Jun 3, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.54 Log Kow (Exper. database match) = -0.75 Exper. Ref: Hansch,C & Leo,A (1985) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 367.68 (Adapted Stein & Brown method) Melting Pt (deg C): 143.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.6E-007 (Modified Grain method) MP (exp database): 225-227 deg C Subcooled liquid VP: 5E-005 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): 1.605e+004 log Kow used: -0.75 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.27E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.461E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.75 (exp database) Log Kaw used: -12.874 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.124 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4418 Biowin2 (Non-Linear Model) : 0.2602 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7302 (weeks-months) Biowin4 (Primary Survey Model) : 3.5213 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2354 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1765 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): 0.00667 Pa (5E-005 mm Hg) Log Koa (Koawin est ): 12.124 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00045 Octanol/air (Koa) model: 0.327 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.016 Mackay model : 0.0347 Octanol/air (Koa) model: 0.963 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 103.6296 E-12 cm3/molecule-sec Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.239 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0254 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 26.96 Log Koc: 1.431 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 = 0.500 (BCF = 3.162) log Kow used: -0.75 (expkow database) Volatilization from Water: Henry LC: 3.27E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.201E+011 hours (9.172E+009 days) Half-Life from Model Lake : 2.402E+012 hours (1.001E+011 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 5.35e-008 2.48 1000 Water 46.3 900 1000 Soil 53.6 1.8e+003 1000 Sediment 0.0891 8.1e+003 0 Persistence Time: 974 hr
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