1,1'-{[(4-Methylphenyl)imino]bis(methylene)}di(2-naphthol)
Cc1ccc(cc1)N(Cc2c3ccccc3ccc2O)Cc4c5ccccc5ccc4O
InChI=1S/C29H25NO2/c1-20-10-14-23(15-11-20)30(18-26-24-8-4-2-6-21(24)12-16-28(26)31)19-27-25-9-5-3-7-22(25)13-17-29(27)32/h2-17,31-32H,18-19H2,1H3
ROGYLTUEXXMTSG-UHFFFAOYSA-N
CSID:211042, http://www.chemspider.com/Chemical-Structure.211042.html (accessed 12:39, Mar 29, 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) = 7.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 612.35 (Adapted Stein & Brown method) Melting Pt (deg C): 265.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.94E-016 (Modified Grain method) Subcooled liquid VP: 2.55E-013 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): 0.0004617 log Kow used: 7.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0039986 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.36E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.102E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.23 (KowWin est) Log Kaw used: -14.585 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.815 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6288 Biowin2 (Non-Linear Model) : 0.0586 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0552 (months ) Biowin4 (Primary Survey Model) : 2.9653 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4308 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9907 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): 3.4E-011 Pa (2.55E-013 mm Hg) Log Koa (Koawin est ): 21.815 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.82E+004 Octanol/air (Koa) model: 1.6E+009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 397.4437 E-12 cm3/molecule-sec Half-Life = 0.027 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.377 Min Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.786E+007 Log Koc: 7.891 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 = 4.502 (BCF = 3.174e+004) log Kow used: 7.23 (estimated) Volatilization from Water: Henry LC: 6.36E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.886E+013 hours (7.856E+011 days) Half-Life from Model Lake : 2.057E+014 hours (8.571E+012 days) Removal In Wastewater Treatment: Total removal: 93.92 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.14 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 0.00079 0.646 1000 Water 1.27 1.44e+003 1000 Soil 41.2 2.88e+003 1000 Sediment 57.5 1.3e+004 0 Persistence Time: 5.93e+003 hr
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