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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