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- Double-bond stereo
4-[(E)-(Diphenylhydrazono)methyl]-N,N-bis(4-methylphenyl)aniline
Cc1ccc(cc1)N(c2ccc(cc2)C)c3ccc(cc3)/C=N/N(c4ccccc4)c5ccccc5
InChI=1S/C33H29N3/c1-26-13-19-29(20-14-26)35(30-21-15-27(2)16-22-30)31-23-17-28(18-24-31)25-34-36(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h3-25H,1-2H3/b34-25+
WCVWLLLVYFDRTB-YQCHCMBFSA-N
CSID:15006884, http://www.chemspider.com/Chemical-Structure.15006884.html (accessed 00:13, Jul 6, 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) = 9.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 597.26 (Adapted Stein & Brown method) Melting Pt (deg C): 258.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.48E-013 (Modified Grain method) Subcooled liquid VP: 8.7E-011 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): 7.702e-006 log Kow used: 9.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7356e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.59E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.981E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.57 (KowWin est) Log Kaw used: -6.975 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.545 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6852 Biowin2 (Non-Linear Model) : 0.2494 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8053 (months ) Biowin4 (Primary Survey Model) : 2.7578 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5099 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.6123 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): 1.16E-008 Pa (8.7E-011 mm Hg) Log Koa (Koawin est ): 16.545 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 259 Octanol/air (Koa) model: 8.61E+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 = 202.2120 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.635 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 : 1.744E+009 Log Koc: 9.242 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 = 1.286 (BCF = 19.3) log Kow used: 9.57 (estimated) Volatilization from Water: Henry LC: 2.59E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.888E+005 hours (2.037E+004 days) Half-Life from Model Lake : 5.333E+006 hours (2.222E+005 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.012 1.27 1000 Water 1.38 1.44e+003 1000 Soil 30.5 2.88e+003 1000 Sediment 68.1 1.3e+004 0 Persistence Time: 4.76e+003 hr
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