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- Double-bond stereo
(E)-N-(4-Butylphenyl)-1-(4-methylphenyl)methanimine
CCCCc1ccc(cc1)/N=C/c2ccc(cc2)C
InChI=1S/C18H21N/c1-3-4-5-16-10-12-18(13-11-16)19-14-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3/b19-14+
KCHFMTRVJWKQAC-XMHGGMMESA-N
CSID:110069, http://www.chemspider.com/Chemical-Structure.110069.html (accessed 03:47, May 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) = 5.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 357.06 (Adapted Stein & Brown method) Melting Pt (deg C): 94.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.89E-005 (Modified Grain method) Subcooled liquid VP: 8.97E-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): 0.275 log Kow used: 5.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.19751 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.80E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.273E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.77 (KowWin est) Log Kaw used: -1.941 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.711 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8456 Biowin2 (Non-Linear Model) : 0.9196 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7923 (weeks ) Biowin4 (Primary Survey Model) : 3.6171 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1053 Biowin6 (MITI Non-Linear Model): 0.0797 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7332 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): 0.012 Pa (8.97E-005 mm Hg) Log Koa (Koawin est ): 7.711 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000251 Octanol/air (Koa) model: 1.26E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00898 Mackay model : 0.0197 Octanol/air (Koa) model: 0.00101 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.3944 E-12 cm3/molecule-sec Half-Life = 0.615 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.379 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0143 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.591E+005 Log Koc: 5.555 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 = 3.742 (BCF = 5525) log Kow used: 5.77 (estimated) Volatilization from Water: Henry LC: 0.00028 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.933 hours Half-Life from Model Lake : 186.8 hours (7.782 days) Removal In Wastewater Treatment: Total removal: 90.96 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.77 percent Total to Air: 0.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.908 14.8 1000 Water 8.68 360 1000 Soil 45.9 720 1000 Sediment 44.5 3.24e+003 0 Persistence Time: 759 hr
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