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CAS Number: 1805-22-7
SMILES : FC(F)(F)C(F)(C(F)(F)C(F)(F)C1(F)F)C1(F)F
CHEM : Cyclopentane, nonafluoro(trifluoromethyl)-
MOL FOR: C6 F12
MOL WT : 300.05
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 4.26
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 50.65 (Adapted Stein & Brown method)
Melting Pt (deg C): -98.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 299 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.99E+004 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.5132
log Kow used: 4.26 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0098824 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.05E+003 atm-m3/mole (2.08E+008 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.300E+002 atm-m3/mole (2.331E+007 Pa-m3/mole)
VP: 299 mm Hg (source: MPBPVP)
WS: 0.513 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.26 (KowWin est)
Log Kaw used: 4.923 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -0.663
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.8354
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.9625 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.3732 (weeks-months)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3661
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8351
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): 3.95E+004 Pa (296 mm Hg)
Log Koa (Koawin est ): -0.663
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.6E-011
Octanol/air (Koa) model: 5.33E-014
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.75E-009
Mackay model : 6.08E-009
Octanol/air (Koa) model: 4.27E-012
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec
Half-Life = -------
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.41E-009 (Junge-Pankow, Mackay avg)
4.27E-012 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.233E+004 L/kg (MCI method)
Log Koc: 4.510 (MCI method)
Koc : 4976 L/kg (Kow method)
Log Koc: 3.697 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.477 (BCF = 299.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6324 days (HL = 4.289 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.960 (BCF = 911.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.966 (BAF = 925.5)
log Kow used: 4.26 (estimated)
Volatilization from Water:
Henry LC: 2.05E+003 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.768 hours
Half-Life from Model Lake : 164.5 hours (6.855 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 100.00 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 25.20 percent
Total to Air: 74.71 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 16.7 1e+005 1000
Water 17.1 4.32e+003 1000
Soil 0.133 8.64e+003 1000
Sediment 66.1 3.89e+004 0
Persistence Time: 528 hr