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- Double-bond stereo
4-{(E)-[(3,5-Dimethylphenyl)imino]methyl}-N,N-diethylaniline
CCN(CC)c1ccc(cc1)/C=N/c2cc(cc(c2)C)C
InChI=1S/C19H24N2/c1-5-21(6-2)19-9-7-17(8-10-19)14-20-18-12-15(3)11-16(4)13-18/h7-14H,5-6H2,1-4H3/b20-14+
PJFMTCYVXKWWRS-XSFVSMFZSA-N
CSID:604368, http://www.chemspider.com/Chemical-Structure.604368.html (accessed 15:04, Apr 26, 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) = 5.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 379.93 (Adapted Stein & Brown method) Melting Pt (deg C): 122.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.73E-006 (Modified Grain method) Subcooled liquid VP: 2.54E-005 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): 0.3492 log Kow used: 5.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.32544 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.36E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.885E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.46 (KowWin est) Log Kaw used: -3.862 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.322 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5181 Biowin2 (Non-Linear Model) : 0.1149 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1750 (months ) Biowin4 (Primary Survey Model) : 3.0181 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0234 Biowin6 (MITI Non-Linear Model): 0.0220 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7244 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): 0.00339 Pa (2.54E-005 mm Hg) Log Koa (Koawin est ): 9.322 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000886 Octanol/air (Koa) model: 0.000515 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.031 Mackay model : 0.0662 Octanol/air (Koa) model: 0.0396 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 204.6441 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.627 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0486 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.502E+004 Log Koc: 4.978 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 = 3.501 (BCF = 3169) log Kow used: 5.46 (estimated) Volatilization from Water: Henry LC: 3.36E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 293.5 hours (12.23 days) Half-Life from Model Lake : 3342 hours (139.3 days) Removal In Wastewater Treatment: Total removal: 87.76 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.00 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0213 1.25 1000 Water 5.67 1.44e+003 1000 Soil 49.3 2.88e+003 1000 Sediment 45 1.3e+004 0 Persistence Time: 2.81e+003 hr
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