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CAS Number: 7399-00-0



MOL FOR: C24 H52 O3 Si1

MOL WT : 416.77

------------------------------ 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) = 9.15

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

Boiling Pt (deg C): 416.73 (Adapted Stein & Brown method)

Melting Pt (deg C): 145.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.94E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 2.59E-005 (Modified Grain method)

Subcooled liquid VP: 3.25E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000433 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.693e-005

log Kow used: 9.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0046498 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Alkoxy Silanes

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

Bond Method : 2.51E-002 atm-m3/mole (2.54E+003 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: 2.881E-003 atm-m3/mole (2.919E+002 Pa-m3/mole)

VP: 1.94E-007 mm Hg (source: MPBPVP)

WS: 3.69E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.15 (KowWin est)

Log Kaw used: 0.011 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.139

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6576

Biowin2 (Non-Linear Model) : 0.2562

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5765 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5155 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4622

Biowin6 (MITI Non-Linear Model): 0.3019

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7199

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): 0.000433 Pa (3.25E-006 mm Hg)

Log Koa (Koawin est ): 9.139

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

Mackay model : 0.00692

Octanol/air (Koa) model: 0.000338

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.2

Mackay model : 0.356

Octanol/air (Koa) model: 0.0263

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 42.2957 E-12 cm3/molecule-sec

Half-Life = 0.253 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.035 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.278 (Junge-Pankow, Mackay avg)

0.0263 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.805E+007 L/kg (MCI method)

Log Koc: 7.764 (MCI method)

Koc : 8.727E+007 L/kg (Kow method)

Log Koc: 7.941 (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 = 2.474 (BCF = 297.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7048 days (HL = 50.68 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.804 (BCF = 63.62)

Log BAF Arnot-Gobas method (upper trophic) = 4.916 (BAF = 8.235e+004)

log Kow used: 9.15 (estimated)

Volatilization from Water:

Henry LC: 0.0251 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.131 hours

Half-Life from Model Lake : 194.4 hours (8.101 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.24 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 0.0918 6.07 1000

Water 2.95 900 1000

Soil 32.6 1.8e+003 1000

Sediment 64.4 8.1e+003 0

Persistence Time: 2.78e+003 hr

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