1-Fluorocyclohexene
F\C1=C\CCCC1
InChI=1S/C6H9F/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
JHJLETSOSKVZGF-UHFFFAOYSA-N
CSID:9357664, http://www.chemspider.com/Chemical-Structure.9357664.html (accessed 13:47, Mar 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) = 3.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 93.21 (Adapted Stein & Brown method) Melting Pt (deg C): -74.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 56.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 311 log Kow used: 3.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1384.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.25E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.411E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.02 (KowWin est) Log Kaw used: 0.964 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.056 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6999 Biowin2 (Non-Linear Model) : 0.8302 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9779 (weeks ) Biowin4 (Primary Survey Model) : 3.7033 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5167 Biowin6 (MITI Non-Linear Model): 0.0330 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2825 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): 7.27E+003 Pa (54.5 mm Hg) Log Koa (Koawin est ): 2.056 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.13E-010 Octanol/air (Koa) model: 2.79E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.49E-008 Mackay model : 3.3E-008 Octanol/air (Koa) model: 2.23E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.3727 E-12 cm3/molecule-sec Half-Life = 0.458 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.492 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.957500 E-17 cm3/molecule-sec Half-Life = 0.387 Days (at 7E11 mol/cm3) Half-Life = 9.300 Hrs Fraction sorbed to airborne particulates (phi): 2.4E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 268 Log Koc: 2.428 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 = 1.622 (BCF = 41.84) log Kow used: 3.02 (estimated) Volatilization from Water: Henry LC: 0.225 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.024 hours Half-Life from Model Lake : 95.08 hours (3.962 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.88 percent Total biodegradation: 0.02 percent Total sludge adsorption: 2.65 percent Total to Air: 96.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.62 5.04 1000 Water 84.8 360 1000 Soil 6.16 720 1000 Sediment 1.47 3.24e+003 0 Persistence Time: 72.5 hr
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