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CAS Number: 4369-14-6
SMILES : CO[Si](CCCOC(=O)C=C)(OC)OC
CHEM :
MOL FOR: C9 H18 O5 Si1
MOL WT : 234.33
------------------------------ 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) = 0.21
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 248.06 (Adapted Stein & Brown method)
Melting Pt (deg C): 32.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0254 (Modified Grain method)
VP (Pa, 25 deg C) : 3.38 (Modified Grain method)
Subcooled liquid VP: 0.0294 mm Hg (25 deg C, Mod-Grain method)
: 3.92 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.923e+004
log Kow used: 0.21 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Acrylates
Alkoxy Silanes
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.92E-007 atm-m3/mole (1.94E-002 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: 4.073E-007 atm-m3/mole (4.127E-002 Pa-m3/mole)
VP: 0.0254 mm Hg (source: MPBPVP)
WS: 1.92E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.21 (KowWin est)
Log Kaw used: -5.105 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.315
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8102
Biowin2 (Non-Linear Model) : 0.9773
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8215 (weeks )
Biowin4 (Primary Survey Model) : 3.7386 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5268
Biowin6 (MITI Non-Linear Model): 0.4108
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6266
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 3.92 Pa (0.0294 mm Hg)
Log Koa (Koawin est ): 5.315
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.65E-007
Octanol/air (Koa) model: 5.07E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.76E-005
Mackay model : 6.12E-005
Octanol/air (Koa) model: 4.06E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 16.2087 E-12 cm3/molecule-sec
Half-Life = 0.660 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.919 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
4.44E-005 (Junge-Pankow, Mackay avg)
4.06E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1055 L/kg (MCI method)
Log Koc: 3.023 (MCI method)
Koc : 9.455 L/kg (Kow method)
Log Koc: 0.976 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.071E-002 L/mol-sec
Kb Half-Life at pH 8: 1.061 years
Kb Half-Life at pH 7: 10.607 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7308 days (HL = 0.01859 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.015 (BCF = 0.9656)
Log BAF Arnot-Gobas method (upper trophic) = -0.015 (BAF = 0.9656)
log Kow used: 0.21 (estimated)
Volatilization from Water:
Henry LC: 1.92E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4670 hours (194.6 days)
Half-Life from Model Lake : 5.107E+004 hours (2128 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.876 14.4 1000
Water 22.3 360 1000
Soil 76 720 1000
Sediment 0.826 3.24e+003 0
Persistence Time: 528 hr