(1E)-N-Hydroxy-2-(1H-indol-3-yl)ethanimine
c1ccc2c(c1)c(c[nH]2)C/C=N/O
InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2
ZLIGRGHTISHYNH-UHFFFAOYSA-N
CSID:388896, http://www.chemspider.com/Chemical-Structure.388896.html (accessed 11:30, Mar 28, 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) = 1.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.27 (Adapted Stein & Brown method) Melting Pt (deg C): 115.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.15E-007 (Modified Grain method) Subcooled liquid VP: 2.48E-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): 2714 log Kow used: 1.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 99.366 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.80E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.660E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.56 (KowWin est) Log Kaw used: -8.496 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.056 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7193 Biowin2 (Non-Linear Model) : 0.7525 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7394 (weeks-months) Biowin4 (Primary Survey Model) : 3.5279 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1286 Biowin6 (MITI Non-Linear Model): 0.1065 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0713 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): 0.000331 Pa (2.48E-006 mm Hg) Log Koa (Koawin est ): 10.056 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00907 Octanol/air (Koa) model: 0.00279 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.247 Mackay model : 0.421 Octanol/air (Koa) model: 0.183 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 203.5350 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.631 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.334 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.083E+004 Log Koc: 4.034 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 = 0.504 (BCF = 3.191) log Kow used: 1.56 (estimated) Volatilization from Water: Henry LC: 7.8E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.907E+006 hours (4.128E+005 days) Half-Life from Model Lake : 1.081E+008 hours (4.503E+006 days) Removal In Wastewater Treatment: Total removal: 1.99 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 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 0.00118 1.26 1000 Water 31.8 900 1000 Soil 68.1 1.8e+003 1000 Sediment 0.0833 8.1e+003 0 Persistence Time: 1.2e+003 hr
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