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2-Fluorooctane
FC(C)CCCCCC
InChI=1S/C8H17F/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
TVJHFQWCMCKELZ-UHFFFAOYSA-N
CSID:9128771, http://www.chemspider.com/Chemical-Structure.9128771.html (accessed 20:18, Apr 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) = 4.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 108.01 (Adapted Stein & Brown method) Melting Pt (deg C): -79.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 31 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 26.39 log Kow used: 4.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 22.718 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.19E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.044E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.14 (KowWin est) Log Kaw used: 0.687 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.453 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7930 Biowin2 (Non-Linear Model) : 0.9514 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2053 (weeks ) Biowin4 (Primary Survey Model) : 3.9260 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5334 Biowin6 (MITI Non-Linear Model): 0.0394 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3233 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.92E+003 Pa (29.4 mm Hg) Log Koa (Koawin est ): 3.453 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.65E-010 Octanol/air (Koa) model: 6.97E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.76E-008 Mackay model : 6.12E-008 Octanol/air (Koa) model: 5.57E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.0494 E-12 cm3/molecule-sec Half-Life = 1.768 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.217 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.44E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 783.4 Log Koc: 2.894 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.140E-015 L/mol-sec Kb Half-Life at pH 8: 1.926E+013 years Kb Half-Life at pH 7: 1.926E+014 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.486 (BCF = 306.1) log Kow used: 4.14 (estimated) Volatilization from Water: Henry LC: 0.119 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.179 hours Half-Life from Model Lake : 109.3 hours (4.553 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.23 percent Total biodegradation: 0.08 percent Total sludge adsorption: 21.72 percent Total to Air: 76.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 16.3 42.4 1000 Water 35.2 360 1000 Soil 42.5 720 1000 Sediment 6.08 3.24e+003 0 Persistence Time: 174 hr
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