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CAS Number: 307-08-4
SMILES : FC2(F)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C1(F)C(F)(F)C(F)(F)C(F)(F
)C(F)(F)C12F
CHEM :
MOL FOR: C13 F22
MOL WT : 574.11
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 6.49
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 187.11 (Adapted Stein & Brown method)
Melting Pt (deg C): 29.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.687 (Modified Grain method)
VP (Pa, 25 deg C) : 91.6 (Modified Grain method)
BP (exp database): 190 deg C
Subcooled liquid VP: 0.759 mm Hg (25 deg C, Mod-Grain method)
: 101 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0001237
log Kow used: 6.49 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.7411e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.82E+006 atm-m3/mole (2.85E+011 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: 4.195E+003 atm-m3/mole (4.251E+008 Pa-m3/mole)
VP: 0.687 mm Hg (source: MPBPVP)
WS: 0.000124 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.49 (KowWin est)
Log Kaw used: 8.062 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -1.572
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.9169
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): -0.8271 (recalcitrant)
Biowin4 (Primary Survey Model) : 1.0247 (recalcitrant)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2655
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -3.5089
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): 101 Pa (0.759 mm Hg)
Log Koa (Koawin est ): -1.572
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.96E-008
Octanol/air (Koa) model: 6.58E-015
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.07E-006
Mackay model : 2.37E-006
Octanol/air (Koa) model: 5.26E-013
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):
1.72E-006 (Junge-Pankow, Mackay avg)
5.26E-013 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.945E+008 L/kg (MCI method)
Log Koc: 8.289 (MCI method)
Koc : 4.288E+005 L/kg (Kow method)
Log Koc: 5.632 (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 = 3.948 (BCF = 8871 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.8220 days (HL = 66.37 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.952 (BCF = 8952)
Log BAF Arnot-Gobas method (upper trophic) = 6.045 (BAF = 1.11e+006)
log Kow used: 6.49 (estimated)
Volatilization from Water:
Henry LC: 2.82E+006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.445 hours
Half-Life from Model Lake : 227.6 hours (9.483 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 100.00 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 59.41 percent
Total to Air: 40.42 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.01 1e+005 1000
Water 1.14 4.32e+003 1000
Soil 0.0122 8.64e+003 1000
Sediment 97.8 3.89e+004 0
Persistence Time: 6.63e+003 hr