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CAS Number: 3825-26-1
SMILES : N(H)(H)(H)(H)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CHEM : Ammonium perfluorooctanoate
MOL FOR: C8 H4 F15 N1 O2
MOL WT : 431.10
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 1.94
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 319.24 (Adapted Stein & Brown method)
Melting Pt (deg C): 124.44 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.14E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00952 (Modified Grain method)
Subcooled liquid VP: 0.000699 mm Hg (25 deg C, Mod-Grain method)
: 0.0931 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 43.34
log Kow used: 1.94 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00040249 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.37E-010 atm-m3/mole (4.42E-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: 9.345E-007 atm-m3/mole (9.469E-002 Pa-m3/mole)
VP: 7.14E-005 mm Hg (source: MPBPVP)
WS: 43.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.94 (KowWin est)
Log Kaw used: -7.748 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.688
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.0817
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.4608 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.0307 (months )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0867
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.6070
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): 0.0932 Pa (0.000699 mm Hg)
Log Koa (Koawin est ): 9.688
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.22E-005
Octanol/air (Koa) model: 0.0012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00116
Mackay model : 0.00257
Octanol/air (Koa) model: 0.0874
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):
0.00186 (Junge-Pankow, Mackay avg)
0.0874 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.245E+004 L/kg (MCI method)
Log Koc: 4.720 (MCI method)
Koc : 58.73 L/kg (Kow method)
Log Koc: 1.769 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.679E+004 L/mol-sec
Kb Half-Life at pH 8: 10.378 seconds
Kb Half-Life at pH 7: 1.730 minutes
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1124 days (HL = 1.295 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.993 (BCF = 9.848)
Log BAF Arnot-Gobas method (upper trophic) = 0.993 (BAF = 9.848)
log Kow used: 1.94 (estimated)
Volatilization from Water:
Henry LC: 4.37E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.782E+006 hours (1.159E+005 days)
Half-Life from Model Lake : 3.035E+007 hours (1.264E+006 days)
Removal In Wastewater Treatment:
Total removal: 2.19 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.10 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.00061 1e+005 1000
Water 2.71 4.32e+003 1000
Soil 80.5 8.64e+003 1000
Sediment 16.7 3.89e+004 0
Persistence Time: 9.76e+003 hr