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CAS Number: 355-02-2
SMILES : FC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)F
CHEM : Cyclohexane, undecafluoro(trifluoromethyl)-
MOL FOR: C7 F14
MOL WT : 350.06
------------------------------ 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) = 4.69
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 74.53 (Adapted Stein & Brown method)
Melting Pt (deg C): -87.20 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 112 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.49E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -44.7 deg C
BP (exp database): 76.3 deg C
VP (exp database): 1.06E+02 mm Hg (1.41E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1101
log Kow used: 4.69 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00049451 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.08E+004 atm-m3/mole (1.09E+009 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: 4.686E+002 atm-m3/mole (4.748E+007 Pa-m3/mole)
VP: 112 mm Hg (source: MPBPVP)
WS: 0.11 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.69 (KowWin est)
Log Kaw used: 5.645 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -0.955
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.0431
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.6399 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.1477 (months )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3197
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.1693
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): 1.41E+004 Pa (106 mm Hg)
Log Koa (Koawin est ): -0.955
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.12E-010
Octanol/air (Koa) model: 2.72E-014
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.67E-009
Mackay model : 1.7E-008
Octanol/air (Koa) model: 2.18E-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):
1.23E-008 (Junge-Pankow, Mackay avg)
2.18E-012 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.449E+005 L/kg (MCI method)
Log Koc: 5.161 (MCI method)
Koc : 1.175E+004 L/kg (Kow method)
Log Koc: 4.070 (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 = 2.764 (BCF = 580.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8911 days (HL = 7.781 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.279 (BCF = 1900)
Log BAF Arnot-Gobas method (upper trophic) = 3.329 (BAF = 2134)
log Kow used: 4.69 (estimated)
Volatilization from Water:
Henry LC: 1.08E+004 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.909 hours
Half-Life from Model Lake : 177.7 hours (7.405 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 100.00 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 39.58 percent
Total to Air: 60.30 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 5.57 1e+005 1000
Water 5.79 4.32e+003 1000
Soil 0.046 8.64e+003 1000
Sediment 88.6 3.89e+004 0
Persistence Time: 1.52e+003 hr