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CAS Number: 335-57-9
SMILES : FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CHEM : Heptane, hexadecafluoro-
MOL FOR: C7 F16
MOL WT : 388.05
------------------------------ 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) = 5.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 76.32 (Adapted Stein & Brown method)
Melting Pt (deg C): -73.61 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 87.4 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.17E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -78 deg C
BP (exp database): 82.5 deg C
VP (exp database): 7.64E+01 mm Hg (1.02E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0132
log Kow used: 5.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 8.8846e-005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.67E+004 atm-m3/mole (9.80E+009 Pa-m3/mole)
Group Method: 2.45E+005 atm-m3/mole (2.48E+010 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.381E+003 atm-m3/mole (3.426E+008 Pa-m3/mole)
VP: 87.4 mm Hg (source: MPBPVP)
WS: 0.0132 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.50 (KowWin est)
Log Kaw used: 6.597 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -1.097
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.3977
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.2551 (recalcitrant)
Biowin4 (Primary Survey Model) : 1.9719 (months )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1738
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8351
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): 1.02E+004 Pa (76.4 mm Hg)
Log Koa (Koawin est ): -1.097
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.95E-010
Octanol/air (Koa) model: 1.96E-014
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.06E-008
Mackay model : 2.36E-008
Octanol/air (Koa) model: 1.57E-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):
1.71E-008 (Junge-Pankow, Mackay avg)
1.57E-012 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.566E+005 L/kg (MCI method)
Log Koc: 5.552 (MCI method)
Koc : 5.93E+004 L/kg (Kow method)
Log Koc: 4.773 (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 = 3.296 (BCF = 1978 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.7038 days (HL = 50.56 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.945 (BCF = 8804)
Log BAF Arnot-Gobas method (upper trophic) = 5.008 (BAF = 1.019e+005)
log Kow used: 5.50 (estimated)
Volatilization from Water:
Henry LC: 9.67E+004 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.01 hours
Half-Life from Model Lake : 187.1 hours (7.796 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 100.00 percent
Total biodegradation: 0.16 percent
Total sludge adsorption: 55.48 percent
Total to Air: 44.36 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.97 1e+005 1000
Water 3.16 4.32e+003 1000
Soil 0.0251 8.64e+003 1000
Sediment 93.9 3.89e+004 0
Persistence Time: 2.71e+003 hr