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CAS Number: 63148-58-3

SMILES : [Si](C)(C)(c2ccccc2)O[Si](C)(c3ccccc3)O[Si](C)(c4ccccc4)O[Si](C)(C)(c

1ccccc1)

CHEM : Siloxanes and Silicones, Me Ph

MOL FOR: C30 H38 O3 Si4

MOL WT : 558.98

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

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

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

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

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

Physical Property Inputs:

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 13.03

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

Boiling Pt (deg C): 519.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 204.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.09E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 1.46E-008 (Modified Grain method)

Subcooled liquid VP: 8.7E-009 mm Hg (25 deg C, Mod-Grain method)

: 1.16E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.998e-007

log Kow used: 13.03 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.5898e-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 : 8.26E-006 atm-m3/mole (8.37E-001 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: 4.012E-004 atm-m3/mole (4.066E+001 Pa-m3/mole)

VP: 1.09E-010 mm Hg (source: MPBPVP)

WS: 2E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 13.03 (KowWin est)

Log Kaw used: -3.471 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 16.501

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9938

Biowin2 (Non-Linear Model) : 0.9062

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0519 (months )

Biowin4 (Primary Survey Model) : 3.0608 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.7840

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6772

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): 1.16E-006 Pa (8.7E-009 mm Hg)

Log Koa (Koawin est ): 16.501

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

Mackay model : 2.59

Octanol/air (Koa) model: 7.78E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.989

Mackay model : 0.995

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.6970 E-12 cm3/molecule-sec

Half-Life = 1.230 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 14.758 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.992 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.552E+009 L/kg (MCI method)

Log Koc: 9.744 (MCI method)

Koc : 2.034E+011 L/kg (Kow method)

Log Koc: 11.308 (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 = 1.172 (BCF = 14.85 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.7072 days (HL = 5096 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.015 (BCF = 0.9671)

Log BAF Arnot-Gobas method (upper trophic) = 2.569 (BAF = 370.6)

log Kow used: 13.03 (estimated)

Volatilization from Water:

Henry LC: 8.26E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 170 hours (7.083 days)

Half-Life from Model Lake : 2053 hours (85.53 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.221 29.5 1000

Water 9.48 1.44e+003 1000

Soil 82.5 2.88e+003 1000

Sediment 7.77 1.3e+004 0

Persistence Time: 2.39e+003 hr

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