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CAS Number: 116265-66-8
SMILES : FC1(F)C(F)(F)C(F)(C(F)(F)C(F)(F)C1(F)F)C(F)(F)C3(F)C(F)(F)C2(F)C(F)(F
)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C3(F)F
CHEM :
MOL FOR: C17 F30
MOL WT : 774.14
------------------------------ 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) = 10.51
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 253.09 (Adapted Stein & Brown method)
Melting Pt (deg C): 51.00 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0214 (Modified Grain method)
VP (Pa, 25 deg C) : 2.85 (Modified Grain method)
Subcooled liquid VP: 0.0371 mm Hg (25 deg C, Mod-Grain method)
: 4.95 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.164e-009
log Kow used: 10.51 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.7414e-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 : 2.15E+009 atm-m3/mole (2.18E+014 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: 1.007E+007 atm-m3/mole (1.021E+012 Pa-m3/mole)
VP: 0.0214 mm Hg (source: MPBPVP)
WS: 2.16E-009 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.51 (KowWin est)
Log Kaw used: 10.944 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -0.434
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -2.7478
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): -2.1176 (recalcitrant)
Biowin4 (Primary Survey Model) : 0.1224 (recalcitrant)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0799
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -4.8458
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): 4.95 Pa (0.0371 mm Hg)
Log Koa (Koawin est ): -0.434
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.06E-007
Octanol/air (Koa) model: 9.04E-014
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.19E-005
Mackay model : 4.85E-005
Octanol/air (Koa) model: 7.23E-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):
3.52E-005 (Junge-Pankow, Mackay avg)
7.23E-012 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1E+010 L/kg (MCI method)
Log Koc: 10.895 (MCI method)
Koc : 1.322E+009 L/kg (Kow method)
Log Koc: 9.121 (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 = 2.406 (BCF = 254.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.5569 days (HL = 3605 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.389 (BCF = 24.52)
Log BAF Arnot-Gobas method (upper trophic) = 5.068 (BAF = 1.168e+005)
log Kow used: 10.51 (estimated)
Volatilization from Water:
Henry LC: 2.15E+009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.839 hours
Half-Life from Model Lake : 264.3 hours (11.01 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 100.00 percent
Total biodegradation: 0.18 percent
Total sludge adsorption: 59.89 percent
Total to Air: 39.93 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.03 1e+005 1000
Water 1.25 4.32e+003 1000
Soil 0.0105 8.64e+003 1000
Sediment 97.7 3.89e+004 0
Persistence Time: 6.47e+003 hr