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CAS Number: 101947-16-4
SMILES : CCO[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(
OCC)OCC
CHEM :
MOL FOR: C16 H19 F17 O3 Si1
MOL WT : 610.39
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 7.18
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 220.45 (Adapted Stein & Brown method)
Melting Pt (deg C): 36.51 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.094 (Modified Grain method)
VP (Pa, 25 deg C) : 12.5 (Modified Grain method)
Subcooled liquid VP: 0.119 mm Hg (25 deg C, Mod-Grain method)
: 15.9 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0001014
log Kow used: 7.18 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.29e-005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Alkoxy Silanes
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.12E+002 atm-m3/mole (3.16E+007 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: 7.445E+002 atm-m3/mole (7.544E+007 Pa-m3/mole)
VP: 0.094 mm Hg (source: MPBPVP)
WS: 0.000101 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.18 (KowWin est)
Log Kaw used: 4.106 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.074
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.3510
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): -0.1475 (recalcitrant)
Biowin4 (Primary Survey Model) : 1.6186 (recalcitrant)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0867
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.6123
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): 15.9 Pa (0.119 mm Hg)
Log Koa (Koawin est ): 3.074
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.89E-007
Octanol/air (Koa) model: 2.91E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.83E-006
Mackay model : 1.51E-005
Octanol/air (Koa) model: 2.33E-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):
1.1E-005 (Junge-Pankow, Mackay avg)
2.33E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.031E+009 L/kg (MCI method)
Log Koc: 9.013 (MCI method)
Koc : 1.703E+006 L/kg (Kow method)
Log Koc: 6.231 (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 = 4.036 (BCF = 1.086e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.3733 days (HL = 236.2 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.835 (BCF = 6841)
Log BAF Arnot-Gobas method (upper trophic) = 6.821 (BAF = 6.617e+006)
log Kow used: 7.18 (estimated)
Volatilization from Water:
Henry LC: 312 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.521 hours
Half-Life from Model Lake : 234.7 hours (9.778 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.98 percent
Total biodegradation: 0.18 percent
Total sludge adsorption: 59.88 percent
Total to Air: 39.93 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0801 13 1000
Water 0.826 4.32e+003 1000
Soil 27.8 8.64e+003 1000
Sediment 71.3 3.89e+004 0
Persistence Time: 9.12e+003 hr