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2-Octyl-9H-fluorene
CCCCCCCCc1ccc-2c(c1)Cc3c2cccc3
InChI=1S/C21H26/c1-2-3-4-5-6-7-10-17-13-14-21-19(15-17)16-18-11-8-9-12-20(18)21/h8-9,11-15H,2-7,10,16H2,1H3
RNQVXNPLQNQMTF-UHFFFAOYSA-N
CSID:2080381, http://www.chemspider.com/Chemical-Structure.2080381.html (accessed 06:35, Jun 17, 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) = 8.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 392.36 (Adapted Stein & Brown method) Melting Pt (deg C): 134.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.01E-006 (Modified Grain method) Subcooled liquid VP: 1.27E-005 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): 0.0001867 log Kow used: 8.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00017057 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.34E-003 atm-m3/mole Group Method: 4.55E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.982E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.00 (KowWin est) Log Kaw used: -1.261 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.261 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8328 Biowin2 (Non-Linear Model) : 0.8862 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7325 (weeks-months) Biowin4 (Primary Survey Model) : 3.5780 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1268 Biowin6 (MITI Non-Linear Model): 0.0891 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3169 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6170 BioHC Half-Life (days) : 41.4028 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00169 Pa (1.27E-005 mm Hg) Log Koa (Koawin est ): 9.261 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00177 Octanol/air (Koa) model: 0.000448 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0601 Mackay model : 0.124 Octanol/air (Koa) model: 0.0346 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.8556 E-12 cm3/molecule-sec Half-Life = 0.468 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.616 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0921 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.391E+006 Log Koc: 6.143 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 = 1.939 (BCF = 86.96) log Kow used: 8.00 (estimated) Volatilization from Water: Henry LC: 0.000455 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.85 hours Half-Life from Model Lake : 181.9 hours (7.58 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.145 11.2 1000 Water 1.91 900 1000 Soil 28.5 1.8e+003 1000 Sediment 69.4 8.1e+003 0 Persistence Time: 3.11e+003 hr
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