11-Methyl-1a,11b-dihydrobenzo[c]oxireno[a]acridine
Cc1c2ccccc2nc-3c1C4C(O4)c5c3cccc5
InChI=1S/C18H13NO/c1-10-11-6-4-5-9-14(11)19-16-12-7-2-3-8-13(12)17-18(20-17)15(10)16/h2-9,17-18H,1H3
ZVHRDGGIUBFCTJ-UHFFFAOYSA-N
CSID:2300658, http://www.chemspider.com/Chemical-Structure.2300658.html (accessed 03:01, Apr 20, 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) = 3.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.36 (Adapted Stein & Brown method) Melting Pt (deg C): 161.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.76E-007 (Modified Grain method) Subcooled liquid VP: 4.4E-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): 0.7316 log Kow used: 3.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.43 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.85E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.208E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.92 (KowWin est) Log Kaw used: -8.803 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.723 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3314 Biowin2 (Non-Linear Model) : 0.0286 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5426 (weeks-months) Biowin4 (Primary Survey Model) : 3.3953 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0299 Biowin6 (MITI Non-Linear Model): 0.0365 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4902 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): 0.000587 Pa (4.4E-006 mm Hg) Log Koa (Koawin est ): 12.723 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00511 Octanol/air (Koa) model: 1.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.156 Mackay model : 0.29 Octanol/air (Koa) model: 0.99 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.8559 E-12 cm3/molecule-sec Half-Life = 0.244 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.927 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.223 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.917E+004 Log Koc: 4.593 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 2.530E+003 L/mol-sec Ka Half-Life at pH 7: 45.650 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.318 (BCF = 208.2) log Kow used: 3.92 (estimated) Volatilization from Water: Henry LC: 3.85E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.449E+007 hours (1.02E+006 days) Half-Life from Model Lake : 2.671E+008 hours (1.113E+007 days) Removal In Wastewater Treatment: Total removal: 26.55 percent Total biodegradation: 0.29 percent Total sludge adsorption: 26.26 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 0.000343 5.85 1000 Water 11.1 900 1000 Soil 86.8 1.8e+003 1000 Sediment 2.16 8.1e+003 0 Persistence Time: 1.88e+003 hr
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