9,9-Dimethyl-12-(4-methylphenyl)-8,9,10,12-tetrahydrobenzo[a]acridin-11(7H)-one
Cc1ccc(cc1)C2c3c4ccccc4ccc3NC5=C2C(=O)CC(C5)(C)C
InChI=1S/C26H25NO/c1-16-8-10-18(11-9-16)23-24-19-7-5-4-6-17(19)12-13-20(24)27-21-14-26(2,3)15-22(28)25(21)23/h4-13,23,27H,14-15H2,1-3H3
GJBAEMNMJYPDND-UHFFFAOYSA-N
CSID:2366919, http://www.chemspider.com/Chemical-Structure.2366919.html (accessed 09:16, Apr 18, 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) = 6.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 520.11 (Adapted Stein & Brown method) Melting Pt (deg C): 221.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.62E-011 (Modified Grain method) Subcooled liquid VP: 8.48E-009 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): 0.02228 log Kow used: 6.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0013829 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.437E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2711 Biowin2 (Non-Linear Model) : 0.0058 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8678 (months ) Biowin4 (Primary Survey Model) : 2.8964 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1993 Biowin6 (MITI Non-Linear Model): 0.0030 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9745 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): 1.13E-006 Pa (8.48E-009 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.65 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.99 Mackay model : 0.995 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 269.9465 E-12 cm3/molecule-sec Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.528 Min Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.461E+006 Log Koc: 6.391 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 = 4.113 (BCF = 1.297e+004) log Kow used: 6.25 (estimated) Volatilization from Water: Henry LC: 1.44E-009 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 7.812E+005 hours (3.255E+004 days) Half-Life from Model Lake : 8.522E+006 hours (3.551E+005 days) Removal In Wastewater Treatment: Total removal: 92.97 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.20 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 0.00834 0.757 1000 Water 2.35 1.44e+003 1000 Soil 34.8 2.88e+003 1000 Sediment 62.9 1.3e+004 0 Persistence Time: 4.14e+003 hr
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