11H-Benzo[b]fluorene
c1ccc2cc-3c(cc2c1)Cc4c3cccc4
InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2
HAPOJKSPCGLOOD-UHFFFAOYSA-N
CSID:8846, http://www.chemspider.com/Chemical-Structure.8846.html (accessed 09:00, Mar 29, 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) = 5.19 Log Kow (Exper. database match) = 5.77 Exper. Ref: Wang,L et al. (1986) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 370.44 (Adapted Stein & Brown method) Melting Pt (deg C): 121.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.42E-007 (Modified Grain method) MP (exp database): 212 deg C VP (exp database): 5.50E-08 mm Hg at 25 deg C Subcooled liquid VP: 3.89E-006 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.03303 log Kow used: 5.77 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol (Exper. database match) = 0.00201 mg/L (25 deg C) Exper. Ref: PEARLMAN,RS ET AL. (1984) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.045191 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Wat Sol (Exper. database match) = 0.00 Exper. Ref: PEARLMAN,RS ET AL. (1984) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.63E-005 atm-m3/mole Group Method: 2.39E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.808E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.77 (exp database) Log Kaw used: -3.176 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.946 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6992 Biowin2 (Non-Linear Model) : 0.6259 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6464 (weeks-months) Biowin4 (Primary Survey Model) : 3.4672 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0952 Biowin6 (MITI Non-Linear Model): 0.0665 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2400 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.5411 BioHC Half-Life (days) : 347.6371 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000519 Pa (3.89E-006 mm Hg) Log Koa (Koawin est ): 8.946 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00578 Octanol/air (Koa) model: 0.000217 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.173 Mackay model : 0.316 Octanol/air (Koa) model: 0.017 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 46.5928 E-12 cm3/molecule-sec Half-Life = 0.230 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.755 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.245 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.254E+005 Log Koc: 5.098 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 = 3.743 (BCF = 5532) log Kow used: 5.77 (expkow database) Volatilization from Water: Henry LC: 2.39E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 361.8 hours (15.07 days) Half-Life from Model Lake : 4070 hours (169.6 days) Removal In Wastewater Treatment: Total removal: 90.88 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.11 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 0.106 5.51 1000 Water 5.24 900 1000 Soil 40.4 1.8e+003 1000 Sediment 54.2 8.1e+003 0 Persistence Time: 2.23e+003 hr
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