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CAS Number: 1623-05-8
SMILES : FC(F)(OC(F)=C(F)F)C(F)(F)C(F)(F)F
CHEM : Propane, 1,1,1,2,2,3,3-heptafluoro-3- (trifluoroethenyl)oxy -
MOL FOR: C5 F10 O1
MOL WT : 266.04
------------------------------ 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) = 3.05
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 23.14 (Adapted Stein & Brown method)
Melting Pt (deg C): -112.40 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 811 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.08E+005 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 47.68
log Kow used: 3.05 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 61.789 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.74E+000 atm-m3/mole (8.86E+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: 5.580E+000 atm-m3/mole (5.654E+005 Pa-m3/mole)
VP: 811 mm Hg (source: MPBPVP)
WS: 47.7 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.05 (KowWin est)
Log Kaw used: 2.553 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.497
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.6147
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.6654 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.8729 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2312
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0896
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): 1.08E+005 Pa (811 mm Hg)
Log Koa (Koawin est ): 0.497
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.77E-011
Octanol/air (Koa) model: 7.71E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1E-009
Mackay model : 2.22E-009
Octanol/air (Koa) model: 6.17E-011
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 1.3243 E-12 cm3/molecule-sec
Half-Life = 8.077 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 96.919 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.056000 E-17 cm3/molecule-sec
Half-Life = 20.464 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
1.61E-009 (Junge-Pankow, Mackay avg)
6.17E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1937 L/kg (MCI method)
Log Koc: 3.287 (MCI method)
Koc : 332.3 L/kg (Kow method)
Log Koc: 2.522 (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 = 1.680 (BCF = 47.89 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6689 days (HL = 4.666 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.055 (BCF = 113.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.055 (BAF = 113.6)
log Kow used: 3.05 (estimated)
Volatilization from Water:
Henry LC: 8.74 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.665 hours
Half-Life from Model Lake : 154.9 hours (6.455 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.97 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 2.78 percent
Total to Air: 97.17 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 35.5 139 1000
Water 54.2 4.32e+003 1000
Soil 0.661 8.64e+003 1000
Sediment 9.6 3.89e+004 0
Persistence Time: 168 hr