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CAS Number: 1187-93-5
SMILES : FC(F)(F)OC(F)=C(F)F
CHEM : Ethene, trifluoro(trifluoromethoxy)-
MOL FOR: C3 F6 O1
MOL WT : 166.02
------------------------------ 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) = 1.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 2.98 (Adapted Stein & Brown method)
Melting Pt (deg C): -133.16 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.61E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.15E+005 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3964
log Kow used: 1.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 20961 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 : 3.17E-001 atm-m3/mole (3.21E+004 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: 4.188E-002 atm-m3/mole (4.244E+003 Pa-m3/mole)
VP: 1.61E+003 mm Hg (source: MPBPVP)
WS: 3.96E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.42 (KowWin est)
Log Kaw used: 1.113 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.307
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.1993
Biowin2 (Non-Linear Model) : 0.0002
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3107 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3241 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3240
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5788
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): 2.13E+005 Pa (1.6E+003 mm Hg)
Log Koa (Koawin est ): 0.307
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.41E-011
Octanol/air (Koa) model: 4.98E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.08E-010
Mackay model : 1.12E-009
Octanol/air (Koa) model: 3.98E-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):
8.16E-010 (Junge-Pankow, Mackay avg)
3.98E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 96.38 L/kg (MCI method)
Log Koc: 1.984 (MCI method)
Koc : 41.68 L/kg (Kow method)
Log Koc: 1.620 (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 = 0.601 (BCF = 3.993 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.0838 days (HL = 0.8246 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.554 (BCF = 3.578)
Log BAF Arnot-Gobas method (upper trophic) = 0.554 (BAF = 3.578)
log Kow used: 1.42 (estimated)
Volatilization from Water:
Henry LC: 0.317 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.317 hours
Half-Life from Model Lake : 122.4 hours (5.1 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.19 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.32 percent
Total to Air: 98.85 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 33.8 62.6 1000
Water 64.6 900 1000
Soil 1.11 1.8e+003 1000
Sediment 0.423 8.1e+003 0
Persistence Time: 121 hr