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N-Diphenylmethaniminium
C(=[NH+]/c1ccccc1)\c2ccccc2
InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H/p+1
UVEWQKMPXAHFST-UHFFFAOYSA-O
Date of deprecation: 11:06, Feb 21, 2014 Reason for deprecation: Deprecate record: there are no supporting data sources.
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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) = 3.20 Log Kow (Exper. database match) = 2.82 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 291.93 (Adapted Stein & Brown method) Melting Pt (deg C): 24.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000619 (Modified Grain method) MP (exp database): 54 deg C BP (exp database): 310 deg C Subcooled liquid VP: 0.00115 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): 212.1 log Kow used: 2.82 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 65.357 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.84E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.960E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.82 (exp database) Log Kaw used: -2.395 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.215 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9174 Biowin2 (Non-Linear Model) : 0.9826 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8427 (weeks ) Biowin4 (Primary Survey Model) : 3.5960 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2454 Biowin6 (MITI Non-Linear Model): 0.2240 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3512 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): 0.153 Pa (0.00115 mm Hg) Log Koa (Koawin est ): 5.215 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.96E-005 Octanol/air (Koa) model: 4.03E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000706 Mackay model : 0.00156 Octanol/air (Koa) model: 3.22E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.7049 E-12 cm3/molecule-sec Half-Life = 1.229 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.745 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00113 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.083E+004 Log Koc: 4.319 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 = 1.471 (BCF = 29.61) log Kow used: 2.82 (expkow database) Volatilization from Water: Henry LC: 9.84E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.384 hours Half-Life from Model Lake : 215.3 hours (8.969 days) Removal In Wastewater Treatment: Total removal: 8.97 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.18 percent Total to Air: 4.68 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.94 29.5 1000 Water 22.6 360 1000 Soil 74.1 720 1000 Sediment 0.272 3.24e+003 0 Persistence Time: 423 hr
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