9,9'-(1,2-Ethanediylidene)bis(9H-fluorene)
c1ccc2c(c1)-c3ccccc3C2=CC=C4c5ccccc5-c6c4cccc6
InChI=1S/C28H18/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-18H
MYBXBSQHWGXMGF-UHFFFAOYSA-N
CSID:206305, http://www.chemspider.com/Chemical-Structure.206305.html (accessed 20:18, 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) = 7.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 523.05 (Adapted Stein & Brown method) Melting Pt (deg C): 223.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.37E-011 (Modified Grain method) Subcooled liquid VP: 7.13E-009 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): 0.0003115 log Kow used: 7.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.2738e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.81E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.040E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.21 (KowWin est) Log Kaw used: -5.808 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.018 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5788 Biowin2 (Non-Linear Model) : 0.1166 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4159 (weeks-months) Biowin4 (Primary Survey Model) : 3.3363 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1985 Biowin6 (MITI Non-Linear Model): 0.0032 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8378 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.5022 BioHC Half-Life (days) : 31.7845 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 9.51E-007 Pa (7.13E-009 mm Hg) Log Koa (Koawin est ): 13.018 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.16 Octanol/air (Koa) model: 2.56 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 272.7386 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.236 Min Ozone Reaction: OVERALL Ozone Rate Constant = 16796.160156 E-17 cm3/molecule-sec Half-Life = 0.000 Days (at 7E11 mol/cm3) Half-Life = 0.098 Min Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.054E+008 Log Koc: 8.023 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 = 4.515 (BCF = 3.277e+004) log Kow used: 7.22 (estimated) Volatilization from Water: Henry LC: 3.81E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.893E+004 hours (1206 days) Half-Life from Model Lake : 3.158E+005 hours (1.316E+004 days) Removal In Wastewater Treatment: Total removal: 93.92 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.14 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 2.59e-005 0.00163 1000 Water 2.06 900 1000 Soil 28.5 1.8e+003 1000 Sediment 69.4 8.1e+003 0 Persistence Time: 3.04e+003 hr
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