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CAS Number: 51851-37-7

SMILES : FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC

CHEM :

MOL FOR: C14 H19 F13 O3 Si1

MOL WT : 510.37

------------------------------ 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) = 5.84

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

Boiling Pt (deg C): 212.93 (Adapted Stein & Brown method)

Melting Pt (deg C): 30.82 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.154 (Modified Grain method)

VP (Pa, 25 deg C) : 20.6 (Modified Grain method)

Subcooled liquid VP: 0.174 mm Hg (25 deg C, Mod-Grain method)

: 23.2 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.006298

log Kow used: 5.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0058635 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Alkoxy Silanes

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

Bond Method : 1.13E+001 atm-m3/mole (1.14E+006 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: 1.642E+001 atm-m3/mole (1.664E+006 Pa-m3/mole)

VP: 0.154 mm Hg (source: MPBPVP)

WS: 0.0063 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.84 (KowWin est)

Log Kaw used: 2.665 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.175

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.9355

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 0.4978 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.0698 (months )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0061

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.9438

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): 23.2 Pa (0.174 mm Hg)

Log Koa (Koawin est ): 3.175

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

Mackay model : 1.29E-007

Octanol/air (Koa) model: 3.67E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.67E-006

Mackay model : 1.03E-005

Octanol/air (Koa) model: 2.94E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.8046 E-12 cm3/molecule-sec

Half-Life = 0.540 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.481 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.51E-006 (Junge-Pankow, Mackay avg)

2.94E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.127E+007 L/kg (MCI method)

Log Koc: 7.710 (MCI method)

Koc : 1.17E+005 L/kg (Kow method)

Log Koc: 5.068 (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 = 3.522 (BCF = 3324 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7119 days (HL = 51.51 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.989 (BCF = 9757)

Log BAF Arnot-Gobas method (upper trophic) = 5.377 (BAF = 2.382e+005)

log Kow used: 5.84 (estimated)

Volatilization from Water:

Henry LC: 11.3 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.305 hours

Half-Life from Model Lake : 214.6 hours (8.941 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.97 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 57.91 percent

Total to Air: 41.89 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0744 13 1000

Water 0.807 4.32e+003 1000

Soil 30.3 8.64e+003 1000

Sediment 68.8 3.89e+004 0

Persistence Time: 9.35e+003 hr

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