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1,4-Phenylenebis[N-(9H-carbazol-9-yl)methanimine]
c1ccc2c(c1)c3ccccc3n2N=Cc4ccc(cc4)C=Nn5c6ccccc6c7c5cccc7
InChI=1S/C32H22N4/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)35(29)33-21-23-17-19-24(20-18-23)22-34-36-31-15-7-3-11-27(31)28-12-4-8-16-32(28)36/h1-22H
QPNVJLSKXMOZLW-UHFFFAOYSA-N
CSID:1451692, http://www.chemspider.com/Chemical-Structure.1451692.html (accessed 20:42, Jul 4, 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) = 8.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 641.60 (Adapted Stein & Brown method) Melting Pt (deg C): 278.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.41E-015 (Modified Grain method) Subcooled liquid VP: 5.97E-012 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): 2.727e-006 log Kow used: 8.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3746e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.100E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.84 (KowWin est) Log Kaw used: -8.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.224 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5273 Biowin2 (Non-Linear Model) : 0.0277 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1770 (months ) Biowin4 (Primary Survey Model) : 3.1804 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5191 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0063 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): 7.96E-010 Pa (5.97E-012 mm Hg) Log Koa (Koawin est ): 17.224 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.77E+003 Octanol/air (Koa) model: 4.11E+004 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 = 44.9281 E-12 cm3/molecule-sec Half-Life = 0.238 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.857 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 : 2.216E+009 Log Koc: 9.346 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 = 2.291 (BCF = 195.6) log Kow used: 8.84 (estimated) Volatilization from Water: Henry LC: 1.01E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.247E+007 hours (5.195E+005 days) Half-Life from Model Lake : 1.36E+008 hours (5.667E+006 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0416 5.71 1000 Water 1.34 1.44e+003 1000 Soil 32.5 2.88e+003 1000 Sediment 66.1 1.3e+004 0 Persistence Time: 4.97e+003 hr
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