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- Double-bond stereo
2-{(E)-[(4-Methoxy-1-naphthyl)methylene]amino}-5-methylphenol
Cc1ccc(c(c1)O)/N=C/c2ccc(c3c2cccc3)OC
InChI=1S/C19H17NO2/c1-13-7-9-17(18(21)11-13)20-12-14-8-10-19(22-2)16-6-4-3-5-15(14)16/h3-12,21H,1-2H3/b20-12+
PTFGLRLCOFNQLW-UDWIEESQSA-N
CSID:617208, http://www.chemspider.com/Chemical-Structure.617208.html (accessed 10:42, Apr 24, 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) = 4.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 440.03 (Adapted Stein & Brown method) Melting Pt (deg C): 171.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.59E-009 (Modified Grain method) Subcooled liquid VP: 1.51E-007 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): 7.156 log Kow used: 4.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.4264 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.53E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.459E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.53 (KowWin est) Log Kaw used: -8.574 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.104 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9112 Biowin2 (Non-Linear Model) : 0.9312 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4787 (weeks-months) Biowin4 (Primary Survey Model) : 3.4757 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2109 Biowin6 (MITI Non-Linear Model): 0.0829 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1823 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): 2.01E-005 Pa (1.51E-007 mm Hg) Log Koa (Koawin est ): 13.104 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.149 Octanol/air (Koa) model: 3.12 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.843 Mackay model : 0.923 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 211.2136 E-12 cm3/molecule-sec Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.608 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.883 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.594E+005 Log Koc: 5.662 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 = 2.785 (BCF = 608.9) log Kow used: 4.53 (estimated) Volatilization from Water: Henry LC: 6.53E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.53E+007 hours (6.377E+005 days) Half-Life from Model Lake : 1.67E+008 hours (6.956E+006 days) Removal In Wastewater Treatment: Total removal: 57.60 percent Total biodegradation: 0.53 percent Total sludge adsorption: 57.07 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 0.00328 1.22 1000 Water 10.3 900 1000 Soil 81.5 1.8e+003 1000 Sediment 8.26 8.1e+003 0 Persistence Time: 1.91e+003 hr
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