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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

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