Try beta.chemspider
9-Phenoxyacridine
c1ccc(cc1)Oc2c3ccccc3nc4c2cccc4
InChI=1S/C19H13NO/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H
MFCLDPQGJMEEBE-UHFFFAOYSA-N
CSID:90929, http://www.chemspider.com/Chemical-Structure.90929.html (accessed 23:05, Jun 3, 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) = 5.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 429.94 (Adapted Stein & Brown method) Melting Pt (deg C): 163.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.81E-008 (Modified Grain method) Subcooled liquid VP: 1.54E-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): 0.03582 log Kow used: 5.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.091 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.47E-009 atm-m3/mole Group Method: 2.08E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.791E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.37 (KowWin est) Log Kaw used: -7.221 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.591 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8784 Biowin2 (Non-Linear Model) : 0.9610 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5635 (weeks-months) Biowin4 (Primary Survey Model) : 3.5383 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2070 Biowin6 (MITI Non-Linear Model): 0.0815 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0083 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): 0.000205 Pa (1.54E-006 mm Hg) Log Koa (Koawin est ): 12.591 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0146 Octanol/air (Koa) model: 0.957 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.345 Mackay model : 0.539 Octanol/air (Koa) model: 0.987 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 74.3157 E-12 cm3/molecule-sec Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.727 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.442 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.301E+005 Log Koc: 5.519 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 = 3.439 (BCF = 2746) log Kow used: 5.37 (estimated) Volatilization from Water: Henry LC: 2.08E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.637E+004 hours (1932 days) Half-Life from Model Lake : 5.06E+005 hours (2.108E+004 days) Removal In Wastewater Treatment: Total removal: 86.41 percent Total biodegradation: 0.73 percent Total sludge adsorption: 85.67 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 0.0569 3.45 1000 Water 7.55 900 1000 Soil 54.9 1.8e+003 1000 Sediment 37.4 8.1e+003 0 Persistence Time: 1.98e+003 hr
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