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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

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