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CAS Number: 163921-85-5
SMILES : C(C(C(C(C(F)(F)[Si](C(C(F)(F)F)(F)F)(O[Si](O[Si](F)(F)F)(F)F)F)(F)F)(
F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
CHEM :
MOL FOR: C10 F28 O2 Si3
MOL WT : 768.32
------------------------------ 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) = 10.18
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 12.09 (Adapted Stein & Brown method)
Melting Pt (deg C): -59.49 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.22E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.62E+005 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.035e-008
log Kow used: 10.18 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.6832e-007 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.50E+007 atm-m3/mole (3.54E+012 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: 7.423E+010 atm-m3/mole (7.522E+015 Pa-m3/mole)
VP: 1.22E+003 mm Hg (source: MPBPVP)
WS: 1.04E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.18 (KowWin est)
Log Kaw used: 9.156 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 1.024
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -2.1305
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): -1.2216 (recalcitrant)
Biowin4 (Primary Survey Model) : 0.9629 (recalcitrant)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5461
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.8378
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): 1.61E+005 Pa (1.21E+003 mm Hg)
Log Koa (Koawin est ): 1.024
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.86E-011
Octanol/air (Koa) model: 2.59E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.72E-010
Mackay model : 1.49E-009
Octanol/air (Koa) model: 2.08E-010
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):
1.08E-009 (Junge-Pankow, Mackay avg)
2.08E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.679E+009 L/kg (MCI method)
Log Koc: 9.938 (MCI method)
Koc : 6.836E+008 L/kg (Kow method)
Log Koc: 8.835 (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 = 2.566 (BCF = 368.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 4.5817 days (HL = 3.817e+004 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.747 (BCF = 55.91)
Log BAF Arnot-Gobas method (upper trophic) = 5.444 (BAF = 2.782e+005)
log Kow used: 10.18 (estimated)
Volatilization from Water:
Henry LC: 3.5E+007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.828 hours
Half-Life from Model Lake : 263.3 hours (10.97 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 100.00 percent
Total biodegradation: 0.18 percent
Total sludge adsorption: 59.90 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 1.02 1e+005 1000
Water 1.2 4.32e+003 1000
Soil 0.0177 8.64e+003 1000
Sediment 97.8 3.89e+004 0
Persistence Time: 6.55e+003 hr