Try beta.chemspider
1,1,1,2,2,3,3-Heptafluorohexane
CCCC(C(C(F)(F)F)(F)F)(F)F
InChI=1S/C6H7F7/c1-2-3-4(7,8)5(9,10)6(11,12)13/h2-3H2,1H3
XMEPUXUKDYDDDY-UHFFFAOYSA-N
CSID:14330610, http://www.chemspider.com/Chemical-Structure.14330610.html (accessed 10:05, Jul 5, 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) = 4.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 11.13 (Adapted Stein & Brown method) Melting Pt (deg C): -105.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.23E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.728 log Kow used: 4.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.83092 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.75E+001 atm-m3/mole Group Method: 2.03E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.914E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.65 (KowWin est) Log Kaw used: 3.186 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.464 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2417 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7932 (months ) Biowin4 (Primary Survey Model) : 2.9604 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4372 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1400 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): 1.63E+005 Pa (1.22E+003 mm Hg) Log Koa (Koawin est ): 1.464 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.84E-011 Octanol/air (Koa) model: 7.14E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.66E-010 Mackay model : 1.48E-009 Octanol/air (Koa) model: 5.72E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3368 E-12 cm3/molecule-sec Half-Life = 8.001 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 96.016 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.07E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3804 Log Koc: 3.580 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.819E-015 L/mol-sec Kb Half-Life at pH 8: 7.792E+012 years Kb Half-Life at pH 7: 7.792E+013 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.883 (BCF = 764.4) log Kow used: 4.65 (estimated) Volatilization from Water: Henry LC: 203 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.486 hours Half-Life from Model Lake : 138.3 hours (5.764 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100.00 percent Total biodegradation: 0.12 percent Total sludge adsorption: 38.33 percent Total to Air: 61.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.2 192 1000 Water 31.5 1.44e+003 1000 Soil 0.322 2.88e+003 1000 Sediment 44 1.3e+004 0 Persistence Time: 264 hr
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