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2,3-Dimethyl-11H-indeno[1,2-b]quinolin-11-one
Cc1cc-2c(cc1C)C(=O)c3c2nc4ccccc4c3
InChI=1S/C18H13NO/c1-10-7-13-14(8-11(10)2)18(20)15-9-12-5-3-4-6-16(12)19-17(13)15/h3-9H,1-2H3
FEVLNSVCIUJPQZ-UHFFFAOYSA-N
CSID:1046889, http://www.chemspider.com/Chemical-Structure.1046889.html (accessed 05:26, Apr 28, 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) = 4.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 431.80 (Adapted Stein & Brown method) Melting Pt (deg C): 178.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.55E-008 (Modified Grain method) Subcooled liquid VP: 1.39E-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): 0.131 log Kow used: 4.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.95502 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.05E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.246E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.79 (KowWin est) Log Kaw used: -8.367 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.157 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7403 Biowin2 (Non-Linear Model) : 0.5069 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4539 (weeks-months) Biowin4 (Primary Survey Model) : 3.3143 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1989 Biowin6 (MITI Non-Linear Model): 0.0647 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9674 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): 0.000185 Pa (1.39E-006 mm Hg) Log Koa (Koawin est ): 13.157 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0162 Octanol/air (Koa) model: 3.52 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.369 Mackay model : 0.564 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.1644 E-12 cm3/molecule-sec Half-Life = 0.589 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.066 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.467 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.204E+004 Log Koc: 4.506 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 = 2.152 (BCF = 141.9) log Kow used: 4.79 (estimated) Volatilization from Water: Henry LC: 1.05E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.979E+006 hours (3.741E+005 days) Half-Life from Model Lake : 9.795E+007 hours (4.081E+006 days) Removal In Wastewater Treatment: Total removal: 69.95 percent Total biodegradation: 0.62 percent Total sludge adsorption: 69.33 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 0.0012 14.1 1000 Water 9.07 900 1000 Soil 77.8 1.8e+003 1000 Sediment 13.1 8.1e+003 0 Persistence Time: 2.11e+003 hr
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