Try beta.chemspider
2-(2,2-Difluorovinyl)naphthalene
F/C(F)=C\c2ccc1c(cccc1)c2
InChI=1S/C12H8F2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
QGEKVFLRRCORAS-UHFFFAOYSA-N
CSID:9063991, http://www.chemspider.com/Chemical-Structure.9063991.html (accessed 19:41, May 10, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 270.48 (Adapted Stein & Brown method) Melting Pt (deg C): 24.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00899 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 17.22 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.2058 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.88E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.306E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -1.394 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.444 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6570 Biowin2 (Non-Linear Model) : 0.5764 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7789 (weeks ) Biowin4 (Primary Survey Model) : 3.5733 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2448 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0946 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.23 Pa (0.00922 mm Hg) Log Koa (Koawin est ): 5.444 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.44E-006 Octanol/air (Koa) model: 6.82E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.81E-005 Mackay model : 0.000195 Octanol/air (Koa) model: 5.46E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.1397 E-12 cm3/molecule-sec Half-Life = 0.443 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.317 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.336000 E-17 cm3/molecule-sec Half-Life = 3.411 Days (at 7E11 mol/cm3) Half-Life = 81.857 Hrs Fraction sorbed to airborne particulates (phi): 0.000142 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.64E+004 Log Koc: 4.215 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 = 2.415 (BCF = 259.9) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 0.000988 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.225 hours Half-Life from Model Lake : 139.9 hours (5.829 days) Removal In Wastewater Treatment: Total removal: 49.22 percent Total biodegradation: 0.27 percent Total sludge adsorption: 28.61 percent Total to Air: 20.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.38 9.41 1000 Water 16.3 360 1000 Soil 80 720 1000 Sediment 2.31 3.24e+003 0 Persistence Time: 416 hr
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