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CAS Number: 207692-01-1
SMILES : C[Si](C)(CCCc1ccccc1)OO[Si](=O)O
CHEM :
MOL FOR: C11 H18 O4 Si2
MOL WT : 270.43
------------------------------ 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) = 3.91
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 327.34 (Adapted Stein & Brown method)
Melting Pt (deg C): 75.78 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.61E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00101 (Modified Grain method)
Subcooled liquid VP: 2.31E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00307 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 26.8
log Kow used: 3.91 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6180 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Peroxy Acids
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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: 1.010E-007 atm-m3/mole (1.024E-002 Pa-m3/mole)
VP: 7.61E-006 mm Hg (source: MPBPVP)
WS: 26.8 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8016
Biowin2 (Non-Linear Model) : 0.8242
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5487 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3939 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0074
Biowin6 (MITI Non-Linear Model): 0.0197
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3482
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): 0.00308 Pa (2.31E-005 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000974
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.034
Mackay model : 0.0723
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 12.4198 E-12 cm3/molecule-sec
Half-Life = 0.861 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.334 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0531 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.854E+004 L/kg (MCI method)
Log Koc: 4.767 (MCI method)
Koc : 2472 L/kg (Kow method)
Log Koc: 3.393 (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 = 2.248 (BCF = 177.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3470 days (HL = 0.4497 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.193 (BCF = 156.1)
Log BAF Arnot-Gobas method (upper trophic) = 2.193 (BAF = 156.1)
log Kow used: 3.91 (estimated)
Volatilization from Water:
Henry LC: 1.01E-007 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 9531 hours (397.1 days)
Half-Life from Model Lake : 1.041E+005 hours (4338 days)
Removal In Wastewater Treatment:
Total removal: 26.13 percent
Total biodegradation: 0.29 percent
Total sludge adsorption: 25.84 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.258 20.7 1000
Water 8.9 900 1000
Soil 62.3 1.8e+003 1000
Sediment 28.5 8.1e+003 0
Persistence Time: 1.85e+003 hr