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2-[9H-Fluoren-9-ylidene(phenyl)methyl]aniline
c1ccc(cc1)C(=C2c3ccccc3-c4c2cccc4)c5ccccc5N
InChI=1S/C26H19N/c27-24-17-9-8-16-23(24)25(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26/h1-17H,27H2
XBDYURPMADDQPI-UHFFFAOYSA-N
CSID:10161147, http://www.chemspider.com/Chemical-Structure.10161147.html (accessed 19:49, Jul 3, 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) = 5.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 520.41 (Adapted Stein & Brown method) Melting Pt (deg C): 222.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.48E-011 (Modified Grain method) Subcooled liquid VP: 8.33E-009 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): 0.009688 log Kow used: 5.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0098749 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.06E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.040E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.53 (KowWin est) Log Kaw used: -8.903 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.433 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4774 Biowin2 (Non-Linear Model) : 0.1187 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3228 (weeks-months) Biowin4 (Primary Survey Model) : 3.2459 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3335 Biowin6 (MITI Non-Linear Model): 0.0013 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8459 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): 1.11E-006 Pa (8.33E-009 mm Hg) Log Koa (Koawin est ): 14.433 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.7 Octanol/air (Koa) model: 66.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.99 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 219.4070 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.585 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 3628.799805 E-17 cm3/molecule-sec Half-Life = 0.000 Days (at 7E11 mol/cm3) Half-Life = 0.455 Min Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.735E+006 Log Koc: 6.941 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 = 3.559 (BCF = 3620) log Kow used: 5.53 (estimated) Volatilization from Water: Henry LC: 3.06E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.556E+007 hours (1.482E+006 days) Half-Life from Model Lake : 3.879E+008 hours (1.616E+007 days) Removal In Wastewater Treatment: Total removal: 88.65 percent Total biodegradation: 0.75 percent Total sludge adsorption: 87.90 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 0.000188 0.00753 1000 Water 7.02 900 1000 Soil 45.5 1.8e+003 1000 Sediment 47.5 8.1e+003 0 Persistence Time: 1.91e+003 hr
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