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CAS Number: 33581-77-0
SMILES : C[Si](C)(C)OC(=O)CO[Si](C)(C)C
CHEM :
MOL FOR: C8 H20 O3 Si2
MOL WT : 220.42
------------------------------ 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) = 3.16
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 183.62 (Adapted Stein & Brown method)
Melting Pt (deg C): -18.67 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.809 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 108 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 68.98
log Kow used: 3.16 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 95097 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Alkoxy Silanes
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.12E-003 atm-m3/mole (5.19E+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: 3.401E-003 atm-m3/mole (3.447E+002 Pa-m3/mole)
VP: 0.809 mm Hg (source: MPBPVP)
WS: 69 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.16 (KowWin est)
Log Kaw used: -0.679 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.839
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6426
Biowin2 (Non-Linear Model) : 0.4697
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7121 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5297 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1083
Biowin6 (MITI Non-Linear Model): 0.0359
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3846
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): 98.1 Pa (0.736 mm Hg)
Log Koa (Koawin est ): 3.839
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.06E-008
Octanol/air (Koa) model: 1.69E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.1E-006
Mackay model : 2.45E-006
Octanol/air (Koa) model: 1.36E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.6638 E-12 cm3/molecule-sec
Half-Life = 4.015 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 48.184 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.77E-006 (Junge-Pankow, Mackay avg)
1.36E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 82.21 L/kg (MCI method)
Log Koc: 1.915 (MCI method)
Koc : 277.8 L/kg (Kow method)
Log Koc: 2.444 (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 = 1.750 (BCF = 56.22 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3627 days (HL = 2.305 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.120 (BCF = 131.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.120 (BAF = 132)
log Kow used: 3.16 (estimated)
Volatilization from Water:
Henry LC: 0.00512 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.685 hours
Half-Life from Model Lake : 142.9 hours (5.953 days)
Removal In Wastewater Treatment:
Total removal: 68.21 percent
Total biodegradation: 0.06 percent
Total sludge adsorption: 4.73 percent
Total to Air: 63.42 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 29.5 96.4 1000
Water 49 900 1000
Soil 21.1 1.8e+003 1000
Sediment 0.287 8.1e+003 0
Persistence Time: 166 hr