Benzenecarbohydrazonic acid
c1ccc(cc1)/C(=N/N)/O
InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
WARCRYXKINZHGQ-UHFFFAOYSA-N
CSID:11461, http://www.chemspider.com/Chemical-Structure.11461.html (accessed 21:28, Nov 30, 2023)
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) = 0.37 Log Kow (Exper. database match) = 0.19 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 323.73 (Adapted Stein & Brown method) Melting Pt (deg C): 111.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.09E-005 (Modified Grain method) MP (exp database): 115 deg C Subcooled liquid VP: 0.000549 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): 2928 log Kow used: 0.19 (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: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.25E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.338E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.19 (exp database) Log Kaw used: -9.422 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.612 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8108 Biowin2 (Non-Linear Model) : 0.9466 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9203 (weeks ) Biowin4 (Primary Survey Model) : 3.6562 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0248 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5771 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): 0.0732 Pa (0.000549 mm Hg) Log Koa (Koawin est ): 9.612 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.1E-005 Octanol/air (Koa) model: 0.001 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00148 Mackay model : 0.00327 Octanol/air (Koa) model: 0.0744 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.2775 E-12 cm3/molecule-sec Half-Life = 1.470 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.637 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00237 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 99.63 Log Koc: 1.998 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: 0.19 (expkow database) Volatilization from Water: Henry LC: 9.25E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.386E+007 hours (3.077E+006 days) Half-Life from Model Lake : 8.057E+008 hours (3.357E+007 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 0.000216 35.3 1000 Water 38.2 360 1000 Soil 61.7 720 1000 Sediment 0.0709 3.24e+003 0 Persistence Time: 584 hr
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