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CAS Number: 116-15-4
SMILES : FC(F)(F)C(F)=C(F)F
CHEM : 1-Propene, 1,1,2,3,3,3-hexafluoro-
MOL FOR: C3 F6
MOL WT : 150.02
------------------------------ 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) = 2.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): -26.00 (Adapted Stein & Brown method)
Melting Pt (deg C): -152.74 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.41E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 5.88E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -156.5 deg C
BP (exp database): -29.6 deg C
VP (exp database): 4.90E+03 mm Hg (6.53E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1167
log Kow used: 2.12 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1006.5 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.34E+000 atm-m3/mole (5.41E+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: 1.286E-001 atm-m3/mole (1.303E+004 Pa-m3/mole)
VP: 4.41E+003 mm Hg (source: MPBPVP)
WS: 1.17E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.12 (KowWin est)
Log Kaw used: 2.339 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -0.219
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1557
Biowin2 (Non-Linear Model) : 0.0082
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3547 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3569 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3701
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 6.53E+005 Pa (4.9E+003 mm Hg)
Log Koa (Koawin est ): -0.219
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.59E-012
Octanol/air (Koa) model: 1.48E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.66E-010
Mackay model : 3.67E-010
Octanol/air (Koa) model: 1.19E-011
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.7742 E-12 cm3/molecule-sec
Half-Life = 13.815 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.011200 E-17 cm3/molecule-sec
Half-Life = 102.321 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
2.67E-010 (Junge-Pankow, Mackay avg)
1.19E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 406.4 L/kg (MCI method)
Log Koc: 2.609 (MCI method)
Koc : 69.11 L/kg (Kow method)
Log Koc: 1.840 (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 = 1.068 (BCF = 11.68 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1977 days (HL = 1.576 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.163 (BCF = 14.57)
Log BAF Arnot-Gobas method (upper trophic) = 1.163 (BAF = 14.57)
log Kow used: 2.12 (estimated)
Volatilization from Water:
Henry LC: 5.34 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.25 hours
Half-Life from Model Lake : 116.3 hours (4.847 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.95 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.56 percent
Total to Air: 99.38 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 46.5 303 1000
Water 51.8 900 1000
Soil 0.548 1.8e+003 1000
Sediment 1.17 8.1e+003 0
Persistence Time: 151 hr