Try beta.chemspider
Naphtho[2,1,8-def]quinolin-2(1H)-one
c1cc2ccc3cc(=O)[nH]c4c3c2c(c1)cc4
InChI=1S/C15H9NO/c17-13-8-11-5-4-9-2-1-3-10-6-7-12(16-13)15(11)14(9)10/h1-8H,(H,16,17)
DGIZFXFFGGKNIO-UHFFFAOYSA-N
CSID:54075, http://www.chemspider.com/Chemical-Structure.54075.html (accessed 07:27, Apr 23, 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) = 2.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 432.32 (Adapted Stein & Brown method) Melting Pt (deg C): 180.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.2E-008 (Modified Grain method) Subcooled liquid VP: 1.35E-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): 8.641 log Kow used: 2.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.0942 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.66E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.068E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.92 (KowWin est) Log Kaw used: -9.168 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.088 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8533 Biowin2 (Non-Linear Model) : 0.9300 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6605 (weeks-months) Biowin4 (Primary Survey Model) : 3.7369 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2462 Biowin6 (MITI Non-Linear Model): 0.0970 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4295 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): 0.00018 Pa (1.35E-006 mm Hg) Log Koa (Koawin est ): 12.088 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0167 Octanol/air (Koa) model: 0.301 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.376 Mackay model : 0.571 Octanol/air (Koa) model: 0.96 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 180.8020 E-12 cm3/molecule-sec Half-Life = 0.059 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.710 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 116.639999 E-17 cm3/molecule-sec Half-Life = 0.010 Days (at 7E11 mol/cm3) Half-Life = 14.148 Min Fraction sorbed to airborne particulates (phi): 0.474 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.736E+004 Log Koc: 4.240 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 = 1.549 (BCF = 35.39) log Kow used: 2.92 (estimated) Volatilization from Water: Henry LC: 1.66E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.222E+007 hours (2.176E+006 days) Half-Life from Model Lake : 5.697E+008 hours (2.374E+007 days) Removal In Wastewater Treatment: Total removal: 5.06 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.95 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 0.000226 0.202 1000 Water 13.3 900 1000 Soil 86.4 1.8e+003 1000 Sediment 0.255 8.1e+003 0 Persistence Time: 1.73e+003 hr
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