1-Methyl-9H-fluorene
Cc1cccc-2c1Cc3c2cccc3
InChI=1S/C14H12/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-14(10)13/h2-8H,9H2,1H3
GKEUODMJRFDLJY-UHFFFAOYSA-N
CSID:14844, http://www.chemspider.com/Chemical-Structure.14844.html (accessed 07:17, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.56 Log Kow (Exper. database match) = 4.97 Exper. Ref: Miller,MM et al. (1985) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 307.25 (Adapted Stein & Brown method) Melting Pt (deg C): 79.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000353 (Modified Grain method) MP (exp database): 85 deg C VP (exp database): 3.00E-04 mm Hg at 25 deg C Subcooled liquid VP: 0.00118 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): 0.2428 log Kow used: 4.97 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.09 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.63412 mg/L Wat Sol (Exper. database match) = 1.09 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.85E-004 atm-m3/mole Group Method: 3.70E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.448E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.97 (exp database) Log Kaw used: -2.121 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.091 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7711 Biowin2 (Non-Linear Model) : 0.8325 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6511 (weeks-months) Biowin4 (Primary Survey Model) : 3.4506 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2192 Biowin6 (MITI Non-Linear Model): 0.1605 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3255 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3838 BioHC Half-Life (days) : 24.2006 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.157 Pa (0.00118 mm Hg) Log Koa (Koawin est ): 7.091 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.91E-005 Octanol/air (Koa) model: 3.03E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000688 Mackay model : 0.00152 Octanol/air (Koa) model: 0.000242 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.6342 E-12 cm3/molecule-sec Half-Life = 0.684 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.210 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00111 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.867E+004 Log Koc: 4.271 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 = 3.127 (BCF = 1339) log Kow used: 4.97 (expkow database) Volatilization from Water: Henry LC: 3.7E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 22.61 hours Half-Life from Model Lake : 359.3 hours (14.97 days) Removal In Wastewater Treatment: Total removal: 76.89 percent Total biodegradation: 0.67 percent Total sludge adsorption: 75.84 percent Total to Air: 0.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.539 16.4 1000 Water 11 900 1000 Soil 65 1.8e+003 1000 Sediment 23.5 8.1e+003 0 Persistence Time: 1.33e+003 hr
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