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CAS Num: 000115-25-3


CHEM : Cyclobutane, octafluoro-


MOL WT : 200.03

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.29

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 7.97 (Adapted Stein & Brown method)

Melting Pt (deg C): -72.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.16E+003 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.87E+005 (Mean VP of Antoine & Grain methods)

MP (exp database): -40.1 deg C

BP (exp database): -5.9 deg C

VP (exp database): 2.35E+03 mm Hg (3.13E+005 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 87.16

log Kow used: 2.29 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 23.6 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.2016 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 7.43E+001 atm-m3/mole (7.52E+006 Pa-m3/mole)

Group Method: 2.45E+002 atm-m3/mole (2.48E+007 Pa-m3/mole)

Exper Database: 8.48E+00 atm-m3/mole (8.59E+005 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: 2.295E+000 atm-m3/mole (2.325E+005 Pa-m3/mole)

VP: 2.16E+003 mm Hg (source: MPBPVP)

WS: 87.2 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 2.29 (KowWin est)

Log Kaw used: 2.540 (exp database)

Log Koa (KOAWIN v1.10 estimate): -0.250

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0834

Biowin2 (Non-Linear Model) : 0.0012

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.9086 (months )

Biowin4 (Primary Survey Model) : 2.9454 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5265

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5008

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): 3.13E+005 Pa (2.35E+003 mm Hg)

Log Koa (Koawin est ): -0.250

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 9.57E-012

Octanol/air (Koa) model: 1.38E-013

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.46E-010

Mackay model : 7.66E-010

Octanol/air (Koa) model: 1.1E-011

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec

Half-Life = -------

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.56E-010 (Junge-Pankow, Mackay avg)

1.1E-011 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1608 L/kg (MCI method)

Log Koc: 3.206 (MCI method)

Koc : 97.07 L/kg (Kow method)

Log Koc: 1.987 (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 v3.00):

Log BCF from regression-based method = 1.180 (BCF = 15.14 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3319 days (HL = 0.4656 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.279 (BCF = 19.02)

Log BAF Arnot-Gobas method (upper trophic) = 1.279 (BAF = 19.02)

log Kow used: 2.29 (estimated)

Volatilization from Water:

Henry LC: 8.48 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.443 hours

Half-Life from Model Lake : 134.3 hours (5.597 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.97 percent

Total biodegradation: 0.02 percent

Total sludge adsorption: 0.70 percent

Total to Air: 99.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 48.2 1e+005 1000

Water 46.2 1.44e+003 1000

Soil 0.578 2.88e+003 1000

Sediment 5.03 1.3e+004 0

Persistence Time: 181 hr

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