Try beta.chemspider
1,2,3,4,5,6,7,7-Octafluorobicyclo[2.2.1]hepta-2,5-diene
C1(=C(C2(C(=C(C1(C2(F)F)F)F)F)F)F)F
InChI=1S/C7F8/c8-1-2(9)6(13)4(11)3(10)5(1,12)7(6,14)15
IKCXNQYGMQSOBI-UHFFFAOYSA-N
CSID:2056359, http://www.chemspider.com/Chemical-Structure.2056359.html (accessed 19:14, Jul 7, 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) = 3.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 78.05 (Adapted Stein & Brown method) Melting Pt (deg C): -8.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 104 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 59.39 log Kow used: 3.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.643 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.27E+001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.439E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.13 (KowWin est) Log Kaw used: 2.715 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.415 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0834 Biowin2 (Non-Linear Model) : 0.0040 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0411 (months ) Biowin4 (Primary Survey Model) : 3.0468 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3517 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1666 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): 1.35E+004 Pa (101 mm Hg) Log Koa (Koawin est ): 0.415 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.23E-010 Octanol/air (Koa) model: 6.38E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.05E-009 Mackay model : 1.78E-008 Octanol/air (Koa) model: 5.11E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.3735 E-12 cm3/molecule-sec Half-Life = 1.451 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.407 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.056000 E-17 cm3/molecule-sec Half-Life = 20.464 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.29E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.41E+004 Log Koc: 4.149 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 = 1.713 (BCF = 51.7) log Kow used: 3.13 (estimated) Volatilization from Water: Henry LC: 12.7 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.568 hours Half-Life from Model Lake : 145.9 hours (6.081 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.98 percent Total biodegradation: 0.03 percent Total sludge adsorption: 3.27 percent Total to Air: 96.69 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.3 32.5 1000 Water 72.6 1.44e+003 1000 Soil 0.657 2.88e+003 1000 Sediment 2.48 1.3e+004 0 Persistence Time: 115 hr
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