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CAS Number: 17861-60-8

SMILES : CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C


MOL FOR: C9 H26 O2 Si3

MOL WT : 250.56

------------------------------ 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) = 7.19

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 164.05 (Adapted Stein & Brown method)

Melting Pt (deg C): -41.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.07 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 277 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.007026

log Kow used: 7.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.019541 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 5.54E-001 atm-m3/mole (5.62E+004 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: 9.713E+001 atm-m3/mole (9.842E+006 Pa-m3/mole)

VP: 2.07 mm Hg (source: MPBPVP)

WS: 0.00703 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 7.19 (KowWin est)

Log Kaw used: 1.355 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.835

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6283

Biowin2 (Non-Linear Model) : 0.3660

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6455 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4862 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0194

Biowin6 (MITI Non-Linear Model): 0.0159

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2255

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): 252 Pa (1.89 mm Hg)

Log Koa (Koawin est ): 5.835

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.19E-008

Octanol/air (Koa) model: 1.68E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.3E-007

Mackay model : 9.52E-007

Octanol/air (Koa) model: 1.34E-005

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.2419 E-12 cm3/molecule-sec

Half-Life = 4.771 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 57.252 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.91E-007 (Junge-Pankow, Mackay avg)

1.34E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5182 L/kg (MCI method)

Log Koc: 3.715 (MCI method)

Koc : 1.737E+006 L/kg (Kow method)

Log Koc: 6.240 (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 = 4.029 (BCF = 1.068e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.0166 days (HL = 103.9 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.690 (BCF = 4901)

Log BAF Arnot-Gobas method (upper trophic) = 6.518 (BAF = 3.295e+006)

log Kow used: 7.19 (estimated)

Volatilization from Water:

Henry LC: 0.554 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.617 hours

Half-Life from Model Lake : 150.4 hours (6.265 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.34 percent

Total biodegradation: 0.54 percent

Total sludge adsorption: 79.85 percent

Total to Air: 15.95 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 26.3 115 1000

Water 54.7 900 1000

Soil 9.79 1.8e+003 1000

Sediment 9.26 8.1e+003 0

Persistence Time: 191 hr

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