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CAS Num: 009006-65-9

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



MOL FOR: C16 H48 O6 Si7

MOL WT : 533.16

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 7.69

Log Kow (Exper. database match) = 7.20

Exper. Ref: SANGSTER (1994)

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

Boiling Pt (deg C): 257.74 (Adapted Stein & Brown method)

Melting Pt (deg C): -18.38 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00923 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.23 (Mean VP of Antoine & Grain methods)

MP (exp database): -78 deg C

BP (exp database): 270 deg C

VP (exp database): 3.19E-03 mm Hg (4.25E-001 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 5.428e-007

log Kow used: 7.20 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.3316e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.49E+000 atm-m3/mole (1.51E+005 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: 1.193E+004 atm-m3/mole (1.209E+009 Pa-m3/mole)

VP: 0.00923 mm Hg (source: MPBPVP)

WS: 5.43E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.20 (exp database)

Log Kaw used: 1.785 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.415

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4937

Biowin2 (Non-Linear Model) : 0.0103

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0210 (months )

Biowin4 (Primary Survey Model) : 3.0785 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.8674

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4371

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): 0.425 Pa (0.00319 mm Hg)

Log Koa (Koawin est ): 5.415

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

Mackay model : 7.05E-006

Octanol/air (Koa) model: 6.38E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000255

Mackay model : 0.000564

Octanol/air (Koa) model: 5.11E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.3936 E-12 cm3/molecule-sec

Half-Life = 4.469 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 53.623 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000409 (Junge-Pankow, Mackay avg)

5.11E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.592E+006 L/kg (MCI method)

Log Koc: 6.982 (MCI method)

Koc : 1.772E+006 L/kg (Kow method)

Log Koc: 6.248 (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 v3.00):

Log BCF from regression-based method = 4.026 (BCF = 1.062e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.2303 days (HL = 1699 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.948 (BCF = 8873)

Log BAF Arnot-Gobas method (upper trophic) = 7.083 (BAF = 1.212e+007)

log Kow used: 7.20 (expkow database)

Volatilization from Water:

Henry LC: 1.49 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.357 hours

Half-Life from Model Lake : 219.3 hours (9.139 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 97.78 percent

Total biodegradation: 0.40 percent

Total sludge adsorption: 71.96 percent

Total to Air: 25.42 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.516 107 1000

Water 1.47 1.44e+003 1000

Soil 28.2 2.88e+003 1000

Sediment 69.8 1.3e+004 0

Persistence Time: 4.43e+003 hr

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