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CAS Number: 16415-12-6

SMILES : CCCCCCCCCCCCCCCC[Si](OC)(OC)OC

CHEM :

MOL FOR: C19 H42 O3 Si1

MOL WT : 346.63

------------------------------ 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) = 6.69

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

Boiling Pt (deg C): 358.71 (Adapted Stein & Brown method)

Melting Pt (deg C): 100.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.51E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00201 (Modified Grain method)

Subcooled liquid VP: 8.19E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.0109 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.01244

log Kow used: 6.69 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.8728 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Alkoxy Silanes

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

Bond Method : 6.08E-003 atm-m3/mole (6.16E+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: 5.536E-004 atm-m3/mole (5.610E+001 Pa-m3/mole)

VP: 1.51E-005 mm Hg (source: MPBPVP)

WS: 0.0124 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.69 (KowWin est)

Log Kaw used: -0.605 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.295

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6910

Biowin2 (Non-Linear Model) : 0.4826

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7315 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6167 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4238

Biowin6 (MITI Non-Linear Model): 0.2767

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5899

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): 0.0109 Pa (8.19E-005 mm Hg)

Log Koa (Koawin est ): 7.295

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

Mackay model : 0.000275

Octanol/air (Koa) model: 4.84E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00983

Mackay model : 0.0215

Octanol/air (Koa) model: 0.000387

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.4382 E-12 cm3/molecule-sec

Half-Life = 0.456 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.476 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0157 (Junge-Pankow, Mackay avg)

0.000387 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.888E+006 L/kg (MCI method)

Log Koc: 6.461 (MCI method)

Koc : 6.395E+005 L/kg (Kow method)

Log Koc: 5.806 (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 = 2.710 (BCF = 512.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0090 days (HL = 10.21 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.272 (BCF = 1873)

Log BAF Arnot-Gobas method (upper trophic) = 4.537 (BAF = 3.447e+004)

log Kow used: 6.69 (estimated)

Volatilization from Water:

Henry LC: 0.00608 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.079 hours

Half-Life from Model Lake : 178.8 hours (7.45 days)

Removal In Wastewater Treatment:

Total removal: 93.79 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 92.11 percent

Total to Air: 0.92 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.173 11 1000

Water 2.16 900 1000

Soil 30.8 1.8e+003 1000

Sediment 66.9 8.1e+003 0

Persistence Time: 2.82e+003 hr

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