Try beta.chemspider
- Double-bond stereo
(3E)-N,5-Bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydro-2-phenazinamine
CC(C)/N=c/1\cc-2n(c3ccccc3nc2cc1Nc4ccc(cc4)Cl)c5ccc(cc5)Cl
InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+
WDQPAMHFFCXSNU-BGABXYSRSA-N
CSID:2692, http://www.chemspider.com/Chemical-Structure.2692.html (accessed 17:42, Apr 23, 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) = 7.55 Log Kow (Exper. database match) = 7.66 Exper. Ref: Quigley,JM et al. (1990) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 573.07 (Adapted Stein & Brown method) Melting Pt (deg C): 246.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.02E-012 (Modified Grain method) MP (exp database): 210-212 deg C Subcooled liquid VP: 3.7E-010 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): 0.0003042 log Kow used: 7.66 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5046e-005 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 : 3.60E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.232E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.66 (exp database) Log Kaw used: -8.832 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.492 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2817 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3500 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4377 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.8653 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.9383 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): 4.93E-008 Pa (3.7E-010 mm Hg) Log Koa (Koawin est ): 16.492 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 60.8 Octanol/air (Koa) model: 7.62E+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 = 136.2554 E-12 cm3/molecule-sec Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.942 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): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.235E+008 Log Koc: 8.092 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 = 3.906 (BCF = 8050) log Kow used: 7.66 (expkow database) Volatilization from Water: Henry LC: 3.6E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.539E+007 hours (1.474E+006 days) Half-Life from Model Lake : 3.86E+008 hours (1.608E+007 days) Removal In Wastewater Treatment: Total removal: 93.99 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.00637 1.84 1000 Water 0.736 4.32e+003 1000 Soil 42.3 8.64e+003 1000 Sediment 57 3.89e+004 0 Persistence Time: 1.13e+004 hr
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