Try beta.chemspider
1-Fluorooctane
CCCCCCCCF
InChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
DHIVLKMGKIZOHF-UHFFFAOYSA-N
CSID:9633, http://www.chemspider.com/Chemical-Structure.9633.html (accessed 13:31, 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) = 4.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 122.15 (Adapted Stein & Brown method) Melting Pt (deg C): -67.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.17 (Mean VP of Antoine & Grain methods) BP (exp database): 142.4 deg C VP (exp database): 5.92E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 22.84 log Kow used: 4.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.556 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]: 5.461E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.21 (KowWin est) Log Kaw used: 0.687 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.523 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) : 0.6825 Biowin6 (MITI Non-Linear Model): 0.0951 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6207 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): 789 Pa (5.92 mm Hg) Log Koa (Koawin est ): 3.523 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.8E-009 Octanol/air (Koa) model: 8.18E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.37E-007 Mackay model : 3.04E-007 Octanol/air (Koa) model: 6.55E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.7771 E-12 cm3/molecule-sec Half-Life = 1.375 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.504 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.21E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 934.6 Log Koc: 2.971 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.574E-017 L/mol-sec Kb Half-Life at pH 8: 8.534E+014 years Kb Half-Life at pH 7: 8.534E+015 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.542 (BCF = 34.87) log Kow used: 4.21 (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: 98.27 percent Total biodegradation: 0.09 percent Total sludge adsorption: 24.02 percent Total to Air: 74.16 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 13.1 33 1000 Water 33.8 360 1000 Soil 46.3 720 1000 Sediment 6.82 3.24e+003 0 Persistence Time: 181 hr
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