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CAS Number: 3069-40-7
SMILES : CO[Si](CCCCCCCC)(OC)OC
CHEM : TRIMETHOXYOCTYLSILANE
MOL FOR: C11 H26 O3 Si1
MOL WT : 234.41
------------------------------ 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) = 2.77
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 244.87 (Adapted Stein & Brown method)
Melting Pt (deg C): 22.22 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0358 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.77 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 125.1
log Kow used: 2.77 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 25048 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Alkoxy Silanes
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.30E-004 atm-m3/mole (6.39E+001 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: 8.826E-005 atm-m3/mole (8.943E+000 Pa-m3/mole)
VP: 0.0358 mm Hg (source: MPBPVP)
WS: 125 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.77 (KowWin est)
Log Kaw used: -1.589 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.359
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7444
Biowin2 (Non-Linear Model) : 0.8211
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9795 (weeks )
Biowin4 (Primary Survey Model) : 3.7786 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3623
Biowin6 (MITI Non-Linear Model): 0.2391
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3820
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): 4.61 Pa (0.0346 mm Hg)
Log Koa (Koawin est ): 4.359
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.5E-007
Octanol/air (Koa) model: 5.61E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.35E-005
Mackay model : 5.2E-005
Octanol/air (Koa) model: 4.49E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 12.1338 E-12 cm3/molecule-sec
Half-Life = 0.882 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.578 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.78E-005 (Junge-Pankow, Mackay avg)
4.49E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.373E+004 L/kg (MCI method)
Log Koc: 4.375 (MCI method)
Koc : 253.3 L/kg (Kow method)
Log Koc: 2.404 (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 = 1.492 (BCF = 31.05 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1042 days (HL = 0.7867 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.717 (BCF = 52.09)
Log BAF Arnot-Gobas method (upper trophic) = 1.717 (BAF = 52.09)
log Kow used: 2.77 (estimated)
Volatilization from Water:
Henry LC: 0.00063 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.985 hours
Half-Life from Model Lake : 160.9 hours (6.706 days)
Removal In Wastewater Treatment:
Total removal: 24.46 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 3.51 percent
Total to Air: 20.86 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.25 21.2 1000
Water 14.7 360 1000
Soil 73 720 1000
Sediment 10.1 3.24e+003 0
Persistence Time: 472 hr