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CAS Number: 163702-05-4

SMILES : CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

CHEM :

MOL FOR: C6 H5 F9 O1

MOL WT : 264.09

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 3.83

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

Boiling Pt (deg C): 46.45 (Adapted Stein & Brown method)

Melting Pt (deg C): -82.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 350 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.66E+004 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 10.62

log Kow used: 3.83 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.8756 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.31E+000 atm-m3/mole (1.33E+005 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: 1.145E+001 atm-m3/mole (1.160E+006 Pa-m3/mole)

VP: 350 mm Hg (source: MPBPVP)

WS: 10.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.83 (KowWin est)

Log Kaw used: 1.729 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.101

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.7978

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.4576 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.7223 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3370

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4774

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): 4.63E+004 Pa (347 mm Hg)

Log Koa (Koawin est ): 2.101

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

Mackay model : 6.48E-011

Octanol/air (Koa) model: 3.1E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.34E-009

Mackay model : 5.19E-009

Octanol/air (Koa) model: 2.48E-009

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.6628 E-12 cm3/molecule-sec

Half-Life = 16.138 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.76E-009 (Junge-Pankow, Mackay avg)

2.48E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1899 L/kg (MCI method)

Log Koc: 3.279 (MCI method)

Koc : 897.4 L/kg (Kow method)

Log Koc: 2.953 (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 = 2.193 (BCF = 155.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6077 days (HL = 4.052 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.698 (BCF = 499)

Log BAF Arnot-Gobas method (upper trophic) = 2.700 (BAF = 501.6)

log Kow used: 3.83 (estimated)

Volatilization from Water:

Henry LC: 1.31 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.659 hours

Half-Life from Model Lake : 154.4 hours (6.432 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.82 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 12.85 percent

Total to Air: 86.92 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 40.7 387 1000

Water 48.9 4.32e+003 1000

Soil 1.9 8.64e+003 1000

Sediment 8.45 3.89e+004 0

Persistence Time: 186 hr

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