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CAS Number: 460-73-1
SMILES : FC(CC(F)F)(F)F
CHEM : 1,1,1,3,3-PENTAFLUOROPROPANE
MOL FOR: C3 H3 F5
MOL WT : 134.05
------------------------------ 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) = 2.04
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): -39.23 (Adapted Stein & Brown method)
Melting Pt (deg C): -147.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 443 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 5.91E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -102 deg C
BP (exp database): 40 deg C
VP (exp database): 1.13E+03 mm Hg (1.51E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 291.5
log Kow used: 2.04 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 294.65 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.05E+000 atm-m3/mole (4.10E+005 Pa-m3/mole)
Group Method: 6.89E-002 atm-m3/mole (6.99E+003 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.681E-001 atm-m3/mole (2.716E+004 Pa-m3/mole)
VP: 443 mm Hg (source: MPBPVP)
WS: 292 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.04 (KowWin est)
Log Kaw used: 2.219 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -0.179
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1633
Biowin2 (Non-Linear Model) : 0.0103
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3900 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3799 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3990
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6962
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): 1.51E+005 Pa (1.13E+003 mm Hg)
Log Koa (Koawin est ): -0.179
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.99E-011
Octanol/air (Koa) model: 1.63E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.19E-010
Mackay model : 1.59E-009
Octanol/air (Koa) model: 1.3E-011
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0297 E-12 cm3/molecule-sec
Half-Life = 360.070 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.16E-009 (Junge-Pankow, Mackay avg)
1.3E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 240.3 L/kg (MCI method)
Log Koc: 2.381 (MCI method)
Koc : 58.9 L/kg (Kow method)
Log Koc: 1.770 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.641E-010 L/mol-sec
Kb Half-Life at pH 8: 6.032E+007 years
Kb Half-Life at pH 7: 6.032E+008 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.012 (BCF = 10.28 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2302 days (HL = 0.5885 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.065 (BCF = 11.62)
Log BAF Arnot-Gobas method (upper trophic) = 1.065 (BAF = 11.62)
log Kow used: 2.04 (estimated)
Volatilization from Water:
Henry LC: 0.0689 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.191 hours
Half-Life from Model Lake : 110.1 hours (4.587 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 96.39 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.57 percent
Total to Air: 95.81 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 49.5 3.53e+004 1000
Water 45.3 900 1000
Soil 4.53 1.8e+003 1000
Sediment 0.626 8.1e+003 0
Persistence Time: 173 hr