- Double-bond stereo
(3E)-3-(Isobutylimino)-N,5-diphenyl-3,5-dihydro-2-phenazinamine
CC(C)C/N=c/1\cc-2n(c3ccccc3nc2cc1Nc4ccccc4)c5ccccc5
InChI=1S/C28H26N4/c1-20(2)19-29-24-18-28-26(17-25(24)30-21-11-5-3-6-12-21)31-23-15-9-10-16-27(23)32(28)22-13-7-4-8-14-22/h3-18,20,30H,19H2,1-2H3/b29-24+
CEWUIYZNVOQBRR-RMLRFSFXSA-N
CSID:169925, http://www.chemspider.com/Chemical-Structure.169925.html (accessed 12:27, Sep 21, 2023)
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) = 6.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 547.29 (Adapted Stein & Brown method) Melting Pt (deg C): 234.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.4E-012 (Modified Grain method) Subcooled liquid VP: 1.71E-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): 0.004005 log Kow used: 6.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0001556 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.69E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.293E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.75 (KowWin est) Log Kaw used: -8.449 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.199 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3655 Biowin2 (Non-Linear Model) : 0.0303 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9285 (months ) Biowin4 (Primary Survey Model) : 2.8573 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6486 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8623 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): 2.28E-007 Pa (1.71E-009 mm Hg) Log Koa (Koawin est ): 15.199 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 13.2 Octanol/air (Koa) model: 388 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 176.8448 E-12 cm3/molecule-sec Half-Life = 0.060 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.726 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.350000 E-17 cm3/molecule-sec Half-Life = 3.274 Days (at 7E11 mol/cm3) Half-Life = 78.583 Hrs Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.686E+007 Log Koc: 7.939 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 = 4.501 (BCF = 3.168e+004) log Kow used: 6.75 (estimated) Volatilization from Water: Henry LC: 8.69E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.378E+007 hours (5.743E+005 days) Half-Life from Model Lake : 1.504E+008 hours (6.265E+006 days) Removal In Wastewater Treatment: Total removal: 93.70 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.92 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 0.0128 1.43 1000 Water 1.67 1.44e+003 1000 Soil 33 2.88e+003 1000 Sediment 65.3 1.3e+004 0 Persistence Time: 4.63e+003 hr
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