1,3,3,7,9-Pentamethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
Cc1cc2c(cc(=O)n3c2c(c1)C(CC3(C)C)C)C
InChI=1S/C17H21NO/c1-10-6-13-11(2)8-15(19)18-16(13)14(7-10)12(3)9-17(18,4)5/h6-8,12H,9H2,1-5H3
IAHBSGZTPNDXOL-UHFFFAOYSA-N
CSID:4465640, http://www.chemspider.com/Chemical-Structure.4465640.html (accessed 19:22, Apr 19, 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) = 4.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 385.08 (Adapted Stein & Brown method) Melting Pt (deg C): 149.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.04E-006 (Modified Grain method) Subcooled liquid VP: 1.91E-005 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): 3.458 log Kow used: 4.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.9194 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.54E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.011E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.46 (KowWin est) Log Kaw used: -5.839 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.299 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7615 Biowin2 (Non-Linear Model) : 0.8183 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2188 (months ) Biowin4 (Primary Survey Model) : 3.3942 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2224 Biowin6 (MITI Non-Linear Model): 0.0825 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2218 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): 0.00255 Pa (1.91E-005 mm Hg) Log Koa (Koawin est ): 10.299 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00118 Octanol/air (Koa) model: 0.00489 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0408 Mackay model : 0.0861 Octanol/air (Koa) model: 0.281 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.9275 E-12 cm3/molecule-sec Half-Life = 0.261 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.136 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 0.0635 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3937 Log Koc: 3.595 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 = 2.731 (BCF = 538.3) log Kow used: 4.46 (estimated) Volatilization from Water: Henry LC: 3.54E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.643E+004 hours (1101 days) Half-Life from Model Lake : 2.885E+005 hours (1.202E+004 days) Removal In Wastewater Treatment: Total removal: 53.91 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.40 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 0.0319 1.53 1000 Water 11.2 1.44e+003 1000 Soil 78.7 2.88e+003 1000 Sediment 10.1 1.3e+004 0 Persistence Time: 1.96e+003 hr
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