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CAS Number: 17955-88-3

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

CHEM :

MOL FOR: C15 H38 O2 Si3

MOL WT : 334.73

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 10.14

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

Boiling Pt (deg C): 276.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 25.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0066 (Modified Grain method)

VP (Pa, 25 deg C) : 0.88 (Modified Grain method)

Subcooled liquid VP: 0.00667 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 6.972e-006

log Kow used: 10.14 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.5653e-005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.03E+000 atm-m3/mole (3.07E+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: 4.169E+002 atm-m3/mole (4.225E+007 Pa-m3/mole)

VP: 0.0066 mm Hg (source: MPBPVP)

WS: 6.97E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.14 (KowWin est)

Log Kaw used: 2.093 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.047

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6966

Biowin2 (Non-Linear Model) : 0.5248

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7578 (weeks )

Biowin4 (Primary Survey Model) : 3.6339 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0655

Biowin6 (MITI Non-Linear Model): 0.0184

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0637

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): 0.889 Pa (0.00667 mm Hg)

Log Koa (Koawin est ): 8.047

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

Mackay model : 3.37E-006

Octanol/air (Koa) model: 2.74E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000122

Mackay model : 0.00027

Octanol/air (Koa) model: 0.00218

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.6922 E-12 cm3/molecule-sec

Half-Life = 1.000 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.004 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000196 (Junge-Pankow, Mackay avg)

0.00218 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.898E+005 L/kg (MCI method)

Log Koc: 5.278 (MCI method)

Koc : 6.311E+008 L/kg (Kow method)

Log Koc: 8.800 (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 = 1.988 (BCF = 97.36 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.8856 days (HL = 768.5 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.603 (BCF = 40.05)

Log BAF Arnot-Gobas method (upper trophic) = 5.245 (BAF = 1.76e+005)

log Kow used: 10.14 (estimated)

Volatilization from Water:

Henry LC: 3.03 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.867 hours

Half-Life from Model Lake : 173.8 hours (7.241 days)

Removal In Wastewater Treatment:

Total removal: 94.06 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.12 percent

Total to Air: 0.16 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.75 24 1000

Water 51.5 360 1000

Soil 41.3 720 1000

Sediment 0.418 3.24e+003 0

Persistence Time: 221 hr

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