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CAS Number: 51294-16-7

SMILES : C12(C(C(C(C(C1(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F



MOL FOR: C11 F20

MOL WT : 512.09

------------------------------ 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) = 6.47

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 151.57 (Adapted Stein & Brown method)

Melting Pt (deg C): -21.74 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.14 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 419 (Mean VP of Antoine & Grain methods)

MP (exp database): -70 deg C

BP (exp database): 161 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.0003235

log Kow used: 6.47 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.1209e-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 : 9.15E+005 atm-m3/mole (9.27E+010 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: 6.540E+003 atm-m3/mole (6.627E+008 Pa-m3/mole)

VP: 3.14 mm Hg (source: MPBPVP)

WS: 0.000324 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 6.47 (KowWin est)

Log Kaw used: 7.573 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): -1.103

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -1.8560

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): -0.5666 (recalcitrant)

Biowin4 (Primary Survey Model) : 1.3001 (recalcitrant)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2124

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.5062

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): 384 Pa (2.88 mm Hg)

Log Koa (Koawin est ): -1.103

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 7.81E-009

Octanol/air (Koa) model: 1.94E-014

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.82E-007

Mackay model : 6.25E-007

Octanol/air (Koa) model: 1.55E-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):

4.54E-007 (Junge-Pankow, Mackay avg)

1.55E-012 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.381E+007 L/kg (MCI method)

Log Koc: 7.377 (MCI method)

Koc : 4.12E+005 L/kg (Kow method)

Log Koc: 5.615 (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 = 3.936 (BCF = 8629 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.1308 days (HL = 135.2 days)

Log BCF Arnot-Gobas method (upper trophic) = 4.092 (BCF = 1.236e+004)

Log BAF Arnot-Gobas method (upper trophic) = 6.375 (BAF = 2.371e+006)

log Kow used: 6.47 (estimated)

Volatilization from Water:

Henry LC: 9.15E+005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.309 hours

Half-Life from Model Lake : 214.9 hours (8.956 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 100.00 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 59.39 percent

Total to Air: 40.44 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 1.17 4.32e+003 1000

Soil 0.0111 8.64e+003 1000

Sediment 97.8 3.89e+004 0

Persistence Time: 6.49e+003 hr

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