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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