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- Double-bond stereo
(1E)-N-Hydroxy-3,4-dihydro-1(2H)-naphthalenimine
c1ccc\2c(c1)CCC/C2=N\O
InChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2/b11-10+
YFDVQUUMKXZPLK-ZHACJKMWSA-N
CSID:4588139, http://www.chemspider.com/Chemical-Structure.4588139.html (accessed 05:01, May 8, 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) = 3.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 300.94 (Adapted Stein & Brown method) Melting Pt (deg C): 61.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.82E-005 (Modified Grain method) Subcooled liquid VP: 0.000127 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): 94.03 log Kow used: 3.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21.591 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.06E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.313E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.34 (KowWin est) Log Kaw used: -4.903 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.243 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7255 Biowin2 (Non-Linear Model) : 0.7853 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7681 (weeks ) Biowin4 (Primary Survey Model) : 3.5466 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2492 Biowin6 (MITI Non-Linear Model): 0.2143 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0925 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): 0.0169 Pa (0.000127 mm Hg) Log Koa (Koawin est ): 8.243 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000177 Octanol/air (Koa) model: 4.3E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00636 Mackay model : 0.014 Octanol/air (Koa) model: 0.00342 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.7874 E-12 cm3/molecule-sec Half-Life = 1.093 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.114 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0102 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5870 Log Koc: 3.769 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 = 1.876 (BCF = 75.09) log Kow used: 3.34 (estimated) Volatilization from Water: Henry LC: 3.06E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2431 hours (101.3 days) Half-Life from Model Lake : 2.662E+004 hours (1109 days) Removal In Wastewater Treatment: Total removal: 9.89 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.71 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.38 26.2 1000 Water 22.3 360 1000 Soil 75.6 720 1000 Sediment 0.718 3.24e+003 0 Persistence Time: 531 hr
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