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CAS Number: 19430-93-4
SMILES : FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C
CHEM : 1-Hexene, 3,3,4,4,5,5,6,6,6-nonafluoro-
MOL FOR: C6 H3 F9
MOL WT : 246.08
------------------------------ 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) = 4.40
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 7.79 (Adapted Stein & Brown method)
Melting Pt (deg C): -105.83 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.38E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.83E+005 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4.36
log Kow used: 4.40 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.14732 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.11E+002 atm-m3/mole (1.12E+007 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: 5.644E+001 atm-m3/mole (5.719E+006 Pa-m3/mole)
VP: 1.38E+003 mm Hg (source: MPBPVP)
WS: 4.36 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.40 (KowWin est)
Log Kaw used: 3.657 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.743
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.4418
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.5061 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.7580 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3579
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3872
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): 1.83E+005 Pa (1.37E+003 mm Hg)
Log Koa (Koawin est ): 0.743
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.64E-011
Octanol/air (Koa) model: 1.36E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.93E-010
Mackay model : 1.31E-009
Octanol/air (Koa) model: 1.09E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 19.9880 E-12 cm3/molecule-sec
Half-Life = 0.535 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.421 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
9.54E-010 (Junge-Pankow, Mackay avg)
1.09E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7754 L/kg (MCI method)
Log Koc: 3.890 (MCI method)
Koc : 6582 L/kg (Kow method)
Log Koc: 3.818 (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 = 2.569 (BCF = 370.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8796 days (HL = 7.579 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.144 (BCF = 1394)
Log BAF Arnot-Gobas method (upper trophic) = 3.170 (BAF = 1478)
log Kow used: 4.40 (estimated)
Volatilization from Water:
Henry LC: 111 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.601 hours
Half-Life from Model Lake : 149 hours (6.208 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 100.00 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 29.97 percent
Total to Air: 69.94 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 7.06 11.9 1000
Water 49.3 4.32e+003 1000
Soil 0.437 8.64e+003 1000
Sediment 43.2 3.89e+004 0
Persistence Time: 185 hr