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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

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