- Double-bond stereo
(1E,2E)-N,N'-Bis(2-methylphenyl)-1,2-ethanediimine
Cc1c(cccc1)/N=C/C=N/c2c(cccc2)C
InChI=1S/C16H16N2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b17-11+,18-12+
DNQDRIBUHNACIY-JYFOCSDGSA-N
CSID:501235, http://www.chemspider.com/Chemical-Structure.501235.html (accessed 22:50, Apr 19, 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) = 3.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 350.64 (Adapted Stein & Brown method) Melting Pt (deg C): 80.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.78E-005 (Modified Grain method) Subcooled liquid VP: 0.000127 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): 17.98 log Kow used: 3.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.7657 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.26E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.537E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.74 (KowWin est) Log Kaw used: -2.875 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.615 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7444 Biowin2 (Non-Linear Model) : 0.6915 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5272 (weeks-months) Biowin4 (Primary Survey Model) : 3.3697 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0564 Biowin6 (MITI Non-Linear Model): 0.0511 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0026 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): 0.0169 Pa (0.000127 mm Hg) Log Koa (Koawin est ): 6.615 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000177 Octanol/air (Koa) model: 1.01E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00636 Mackay model : 0.014 Octanol/air (Koa) model: 8.09E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.2123 E-12 cm3/molecule-sec Half-Life = 0.660 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.917 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0102 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.937E+005 Log Koc: 5.287 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 = 2.180 (BCF = 151.4) log Kow used: 3.74 (estimated) Volatilization from Water: Henry LC: 3.26E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 29.18 hours (1.216 days) Half-Life from Model Lake : 447.2 hours (18.63 days) Removal In Wastewater Treatment: Total removal: 21.00 percent Total biodegradation: 0.23 percent Total sludge adsorption: 19.35 percent Total to Air: 1.41 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.675 15.8 1000 Water 15.7 900 1000 Soil 81.6 1.8e+003 1000 Sediment 2.01 8.1e+003 0 Persistence Time: 1.04e+003 hr
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