(Z)-N-[Hydroxy(3-methylphenyl)methylene]glycine
Cc1cccc(c1)/C(=N/CC(=O)O)/O
InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
YKAKNMHEIJUKEX-UHFFFAOYSA-N
CSID:89642, http://www.chemspider.com/Chemical-Structure.89642.html (accessed 20:58, Apr 19, 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) = 1.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 399.98 (Adapted Stein & Brown method) Melting Pt (deg C): 164.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.06E-007 (Modified Grain method) Subcooled liquid VP: 8.32E-006 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): 6557 log Kow used: 1.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 59626 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.96E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.186E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.01 (KowWin est) Log Kaw used: -10.488 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.498 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9931 Biowin2 (Non-Linear Model) : 0.9849 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0078 (weeks ) Biowin4 (Primary Survey Model) : 4.0915 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5689 Biowin6 (MITI Non-Linear Model): 0.5463 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2725 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00111 Pa (8.32E-006 mm Hg) Log Koa (Koawin est ): 11.498 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0027 Octanol/air (Koa) model: 0.0773 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.089 Mackay model : 0.178 Octanol/air (Koa) model: 0.861 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.2070 E-12 cm3/molecule-sec Half-Life = 0.954 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.453 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.133 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.31 Log Koc: 1.053 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: 1.01 (estimated) Volatilization from Water: Henry LC: 7.96E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.022E+009 hours (4.26E+007 days) Half-Life from Model Lake : 1.115E+010 hours (4.647E+008 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 2e-005 22.9 1000 Water 34.5 360 1000 Soil 65.4 720 1000 Sediment 0.0692 3.24e+003 0 Persistence Time: 610 hr
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