1-[4-(Hydroxyamino)phenyl]-1-propanone
CCC(=O)c1ccc(cc1)NO
InChI=1S/C9H11NO2/c1-2-9(11)7-3-5-8(10-12)6-4-7/h3-6,10,12H,2H2,1H3
SPLXTEULIVJMRZ-UHFFFAOYSA-N
CSID:58966, http://www.chemspider.com/Chemical-Structure.58966.html (accessed 03:02, Jun 7, 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) = 1.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 315.10 (Adapted Stein & Brown method) Melting Pt (deg C): 87.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.3E-005 (Modified Grain method) Subcooled liquid VP: 5.1E-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): 6058 log Kow used: 1.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 63974 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.22E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.664E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.20 (KowWin est) Log Kaw used: -9.424 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.624 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6757 Biowin2 (Non-Linear Model) : 0.5523 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8116 (weeks ) Biowin4 (Primary Survey Model) : 3.5872 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4211 Biowin6 (MITI Non-Linear Model): 0.3822 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0089 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): 0.0068 Pa (5.1E-005 mm Hg) Log Koa (Koawin est ): 10.624 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000441 Octanol/air (Koa) model: 0.0103 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0157 Mackay model : 0.0341 Octanol/air (Koa) model: 0.452 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.1175 E-12 cm3/molecule-sec Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.199 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0249 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 46.68 Log Koc: 1.669 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 = -0.612 (BCF = 0.2443) log Kow used: 1.21 (estimated) Volatilization from Water: Henry LC: 9.22E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.162E+007 hours (3.401E+006 days) Half-Life from Model Lake : 8.904E+008 hours (3.71E+007 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.82 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 0.000205 6.4 1000 Water 32.7 360 1000 Soil 67.2 720 1000 Sediment 0.0688 3.24e+003 0 Persistence Time: 623 hr
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