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- Double-bond stereo
(E)-1-(2-Chlorophenyl)-N-(diphenylmethyl)methanimine
Clc3ccccc3/C=N/C(c1ccccc1)c2ccccc2
InChI=1S/C20H16ClN/c21-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20H/b22-15+
CGYVRIQNIDXLML-PXLXIMEGSA-N
CSID:9143974, http://www.chemspider.com/Chemical-Structure.9143974.html (accessed 10:00, 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) = 5.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 406.50 (Adapted Stein & Brown method) Melting Pt (deg C): 134.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.54E-007 (Modified Grain method) Subcooled liquid VP: 5.77E-006 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): 0.1578 log Kow used: 5.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0021277 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.89E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.158E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.69 (KowWin est) Log Kaw used: -4.112 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.802 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6757 Biowin2 (Non-Linear Model) : 0.5619 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3608 (weeks-months) Biowin4 (Primary Survey Model) : 3.2510 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0959 Biowin6 (MITI Non-Linear Model): 0.0132 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3997 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): 0.000769 Pa (5.77E-006 mm Hg) Log Koa (Koawin est ): 9.802 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0039 Octanol/air (Koa) model: 0.00156 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.123 Mackay model : 0.238 Octanol/air (Koa) model: 0.111 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.7825 E-12 cm3/molecule-sec Half-Life = 0.724 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.683 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.181 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.449E+006 Log Koc: 6.389 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 = 3.679 (BCF = 4778) log Kow used: 5.69 (estimated) Volatilization from Water: Henry LC: 1.89E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 543.5 hours (22.65 days) Half-Life from Model Lake : 6076 hours (253.2 days) Removal In Wastewater Treatment: Total removal: 90.26 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.49 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 0.274 17.4 1000 Water 5.65 900 1000 Soil 43 1.8e+003 1000 Sediment 51.1 8.1e+003 0 Persistence Time: 2.19e+003 hr
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