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CAS Number: 306-91-2

SMILES : FC2(F)(C1(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C3(F)(C(F)(C2(F)F)C(F)(

F)C(F)(F)C(F)(F)C3(F)F)))

CHEM : Phenanthrene, tetracosafluorotetradecahydro-

MOL FOR: C14 F24

MOL WT : 624.12

------------------------------ 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) = 7.45

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

Boiling Pt (deg C): 205.98 (Adapted Stein & Brown method)

Melting Pt (deg C): 28.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.321 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 42.7 (Mean VP of Antoine & Grain methods)

MP (exp database): -20 deg C

BP (exp database): 210 deg C

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

Water Solubility at 25 deg C (mg/L): 8.702e-006

log Kow used: 7.45 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.2412e-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 : 1.48E+007 atm-m3/mole (1.50E+012 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: 3.029E+004 atm-m3/mole (3.069E+009 Pa-m3/mole)

VP: 0.321 mm Hg (source: MPBPVP)

WS: 8.7E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.45 (KowWin est)

Log Kaw used: 8.782 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): -1.332

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -2.1246

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): -1.1497 (recalcitrant)

Biowin4 (Primary Survey Model) : 0.7991 (recalcitrant)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2191

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -3.8431

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): 39.6 Pa (0.297 mm Hg)

Log Koa (Koawin est ): -1.332

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

Mackay model : 7.58E-008

Octanol/air (Koa) model: 1.14E-014

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.74E-006

Mackay model : 6.06E-006

Octanol/air (Koa) model: 9.14E-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):

4.4E-006 (Junge-Pankow, Mackay avg)

9.14E-013 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8.722E+008 L/kg (MCI method)

Log Koc: 8.941 (MCI method)

Koc : 2.92E+006 L/kg (Kow method)

Log Koc: 6.465 (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 = 3.901 (BCF = 7968 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.2440 days (HL = 175.4 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.617 (BCF = 4142)

Log BAF Arnot-Gobas method (upper trophic) = 6.733 (BAF = 5.413e+006)

log Kow used: 7.45 (estimated)

Volatilization from Water:

Henry LC: 1.48E+007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.549 hours

Half-Life from Model Lake : 237.3 hours (9.887 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 100.00 percent

Total biodegradation: 0.18 percent

Total sludge adsorption: 59.84 percent

Total to Air: 39.98 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1 1e+005 1000

Water 1.13 4.32e+003 1000

Soil 0.0119 8.64e+003 1000

Sediment 97.9 3.89e+004 0

Persistence Time: 6.64e+003 hr

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