- Double-bond stereo
(E)-N-(4-Methylphenyl)-1-(4-nitrophenyl)methanimine
Cc1ccc(cc1)/N=C/c2ccc(cc2)[N+](=O)[O-]
InChI=1S/C14H12N2O2/c1-11-2-6-13(7-3-11)15-10-12-4-8-14(9-5-12)16(17)18/h2-10H,1H3/b15-10+
GSOZSSDYIVFJRF-XNTDXEJSSA-N
CSID:536689, http://www.chemspider.com/Chemical-Structure.536689.html (accessed 12:20, Apr 18, 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) = 1.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 525.52 (Adapted Stein & Brown method) Melting Pt (deg C): 224.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.24E-013 (Modified Grain method) Subcooled liquid VP: 3.08E-011 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): 1801 log Kow used: 1.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 35.915 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.19E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.948E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.37 (KowWin est) Log Kaw used: -14.313 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.683 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6874 Biowin2 (Non-Linear Model) : 0.5399 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5911 (weeks-months) Biowin4 (Primary Survey Model) : 3.4311 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0825 Biowin6 (MITI Non-Linear Model): 0.0658 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7037 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): 4.11E-009 Pa (3.08E-011 mm Hg) Log Koa (Koawin est ): 15.683 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 731 Octanol/air (Koa) model: 1.18E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.6489 E-12 cm3/molecule-sec Half-Life = 1.237 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.840 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.784E+004 Log Koc: 4.445 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 = 0.352 (BCF = 2.248) log Kow used: 1.37 (estimated) Volatilization from Water: Henry LC: 1.19E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.642E+012 hours (3.184E+011 days) Half-Life from Model Lake : 8.337E+013 hours (3.474E+012 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 6.06e-005 29.7 1000 Water 35.3 900 1000 Soil 64.6 1.8e+003 1000 Sediment 0.0836 8.1e+003 0 Persistence Time: 1.14e+003 hr
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