5H-Indeno[1,2-b]pyridine
c1ccc-2c(c1)Cc3c2nccc3
InChI=1S/C12H9N/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H,8H2
FWEHZHRUCQRSJP-UHFFFAOYSA-N
CSID:8850, http://www.chemspider.com/Chemical-Structure.8850.html (accessed 23:31, 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) = 3.06 Log Kow (Exper. database match) = 2.96 Exper. Ref: Helweg,C et al. (1997a) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 299.57 (Adapted Stein & Brown method) Melting Pt (deg C): 84.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00054 (Modified Grain method) Subcooled liquid VP: 0.002 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): 14.59 log Kow used: 2.96 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 360.02 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.19E-007 atm-m3/mole Group Method: 3.88E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.143E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.96 (exp database) Log Kaw used: -5.048 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.008 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5680 Biowin2 (Non-Linear Model) : 0.3949 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5406 (weeks-months) Biowin4 (Primary Survey Model) : 3.5192 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1830 Biowin6 (MITI Non-Linear Model): 0.1146 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6874 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): 0.267 Pa (0.002 mm Hg) Log Koa (Koawin est ): 8.008 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.13E-005 Octanol/air (Koa) model: 2.5E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000406 Mackay model : 0.000899 Octanol/air (Koa) model: 0.002 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.5077 E-12 cm3/molecule-sec Half-Life = 1.942 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.304 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000653 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2253 Log Koc: 3.353 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 = 1.579 (BCF = 37.95) log Kow used: 2.96 (expkow database) Volatilization from Water: Henry LC: 3.88E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.951E+004 hours (813.1 days) Half-Life from Model Lake : 2.13E+005 hours (8874 days) Removal In Wastewater Treatment: Total removal: 5.37 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.24 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 0.237 46.6 1000 Water 14.2 900 1000 Soil 85.2 1.8e+003 1000 Sediment 0.297 8.1e+003 0 Persistence Time: 1.56e+003 hr
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