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- Double-bond stereo
(E)-1-(3,4-Dichlorophenyl)-N-[4-(2-methyl-2-propanyl)phenyl]methanimine
CC(C)(C)c1ccc(cc1)/N=C/c2ccc(c(c2)Cl)Cl
InChI=1S/C17H17Cl2N/c1-17(2,3)13-5-7-14(8-6-13)20-11-12-4-9-15(18)16(19)10-12/h4-11H,1-3H3/b20-11+
ZUNZCTWDXBWLEG-RGVLZGJSSA-N
CSID:2013730, http://www.chemspider.com/Chemical-Structure.2013730.html (accessed 23:23, Apr 25, 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) = 6.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 371.25 (Adapted Stein & Brown method) Melting Pt (deg C): 121.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.52E-006 (Modified Grain method) Subcooled liquid VP: 4.11E-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): 0.03865 log Kow used: 6.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.082045 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.40E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.712E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.40 (KowWin est) Log Kaw used: -2.242 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.642 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0530 Biowin2 (Non-Linear Model) : 0.0008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8971 (months ) Biowin4 (Primary Survey Model) : 2.9218 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0699 Biowin6 (MITI Non-Linear Model): 0.0055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1763 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): 0.00548 Pa (4.11E-005 mm Hg) Log Koa (Koawin est ): 8.642 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000547 Octanol/air (Koa) model: 0.000108 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0194 Mackay model : 0.042 Octanol/air (Koa) model: 0.00854 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.1043 E-12 cm3/molecule-sec Half-Life = 1.320 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.837 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0307 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.98E+005 Log Koc: 5.600 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 = 4.228 (BCF = 1.69e+004) log Kow used: 6.40 (estimated) Volatilization from Water: Henry LC: 0.00014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.104 hours Half-Life from Model Lake : 246.1 hours (10.25 days) Removal In Wastewater Treatment: Total removal: 93.29 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.46 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.271 31.7 1000 Water 2.03 1.44e+003 1000 Soil 34.8 2.88e+003 1000 Sediment 62.9 1.3e+004 0 Persistence Time: 4.06e+003 hr
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