Try beta.chemspider
9-Methyl-9H-fluorene
CC1c2ccccc2-c3c1cccc3
InChI=1S/C14H12/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-10H,1H3
ZVEJRZRAUYJYCO-UHFFFAOYSA-N
CSID:16369, http://www.chemspider.com/Chemical-Structure.16369.html (accessed 11:48, Apr 26, 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) = 4.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 303.09 (Adapted Stein & Brown method) Melting Pt (deg C): 70.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00105 (Modified Grain method) MP (exp database): 46.5 deg C BP (exp database): 154-156 @ 15 mm Hg deg C Subcooled liquid VP: 0.00166 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): 1.218 log Kow used: 4.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.64354 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.22E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.045E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.15 (KowWin est) Log Kaw used: -2.042 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.192 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7164 Biowin2 (Non-Linear Model) : 0.7362 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7260 (weeks-months) Biowin4 (Primary Survey Model) : 3.5191 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2323 Biowin6 (MITI Non-Linear Model): 0.1923 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0883 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7566 BioHC Half-Life (days) : 57.0899 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.221 Pa (0.00166 mm Hg) Log Koa (Koawin est ): 6.192 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.36E-005 Octanol/air (Koa) model: 3.82E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000489 Mackay model : 0.00108 Octanol/air (Koa) model: 3.06E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.5614 E-12 cm3/molecule-sec Half-Life = 1.119 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.424 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000786 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.906E+004 Log Koc: 4.280 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 = 2.495 (BCF = 312.9) log Kow used: 4.15 (estimated) Volatilization from Water: Henry LC: 0.000222 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.911 hours Half-Life from Model Lake : 166.1 hours (6.923 days) Removal In Wastewater Treatment: Total removal: 42.08 percent Total biodegradation: 0.36 percent Total sludge adsorption: 35.74 percent Total to Air: 5.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.29 26.9 1000 Water 11.2 900 1000 Soil 83.8 1.8e+003 1000 Sediment 3.75 8.1e+003 0 Persistence Time: 1.01e+003 hr
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