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13H-Indeno[1,2-l]phenanthrene
c1ccc-2c(c1)Cc3c2c4ccccc4c5c3cccc5
InChI=1S/C21H14/c1-2-8-15-14(7-1)13-20-18-11-4-3-9-16(18)17-10-5-6-12-19(17)21(15)20/h1-12H,13H2
XNKVIGSNRYAOQZ-UHFFFAOYSA-N
CSID:64225, http://www.chemspider.com/Chemical-Structure.64225.html (accessed 22:23, May 9, 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) = 6.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 441.33 (Adapted Stein & Brown method) Melting Pt (deg C): 165.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.89E-008 (Modified Grain method) Subcooled liquid VP: 8.06E-007 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): 0.005428 log Kow used: 6.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0009859 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.59E-006 atm-m3/mole Group Method: 1.65E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.866E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.37 (KowWin est) Log Kaw used: -4.187 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.557 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6754 Biowin2 (Non-Linear Model) : 0.4511 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5357 (weeks-months) Biowin4 (Primary Survey Model) : 3.3949 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0373 Biowin6 (MITI Non-Linear Model): 0.0209 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4309 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.7137 BioHC Half-Life (days) : 517.2121 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000107 Pa (8.06E-007 mm Hg) Log Koa (Koawin est ): 10.557 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0279 Octanol/air (Koa) model: 0.00885 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.502 Mackay model : 0.691 Octanol/air (Koa) model: 0.415 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.9230 E-12 cm3/molecule-sec Half-Life = 0.357 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.289 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.596 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.481E+006 Log Koc: 6.171 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 = 4.203 (BCF = 1.596e+004) log Kow used: 6.37 (estimated) Volatilization from Water: Henry LC: 1.65E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5793 hours (241.4 days) Half-Life from Model Lake : 6.333E+004 hours (2639 days) Removal In Wastewater Treatment: Total removal: 93.23 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.45 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 0.0981 8.58 1000 Water 2.78 900 1000 Soil 34.7 1.8e+003 1000 Sediment 62.4 8.1e+003 0 Persistence Time: 2.96e+003 hr
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