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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 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

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