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CAS Num: 009016-00-6

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

CHEM : Polydimethylsiloxane

MOL FOR: C12 H38 O7 Si6

MOL WT : 462.95

------------------------------ 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) = 3.60

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

Boiling Pt (deg C): 344.16 (Adapted Stein & Brown method)

Melting Pt (deg C): 39.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.76E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000367 (Modified Grain method)

Subcooled liquid VP: 3.73E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000498 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.004528

log Kow used: 3.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.45917 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.67E-008 atm-m3/mole (5.74E-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: 3.713E-004 atm-m3/mole (3.762E+001 Pa-m3/mole)

VP: 2.76E-006 mm Hg (source: MPBPVP)

WS: 0.00453 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.60 (KowWin est)

Log Kaw used: -5.635 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.235

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5271

Biowin2 (Non-Linear Model) : 0.0275

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1761 (months )

Biowin4 (Primary Survey Model) : 3.1798 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.6602

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1188

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): 0.000497 Pa (3.73E-006 mm Hg)

Log Koa (Koawin est ): 9.235

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

Mackay model : 0.00603

Octanol/air (Koa) model: 0.000422

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.179

Mackay model : 0.325

Octanol/air (Koa) model: 0.0326

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.6952 E-12 cm3/molecule-sec

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

Half-Life = 14.761 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.252 (Junge-Pankow, Mackay avg)

0.0326 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.236E+006 L/kg (MCI method)

Log Koc: 6.092 (MCI method)

Koc : 1331 L/kg (Kow method)

Log Koc: 3.124 (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 = 2.041 (BCF = 110 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3231 days (HL = 21.04 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.603 (BCF = 400.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.623 (BAF = 420)

log Kow used: 3.60 (estimated)

Volatilization from Water:

Henry LC: 5.67E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.222E+004 hours (925.8 days)

Half-Life from Model Lake : 2.426E+005 hours (1.011E+004 days)

Removal In Wastewater Treatment:

Total removal: 15.52 percent

Total biodegradation: 0.20 percent

Total sludge adsorption: 15.31 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 0.084 29.5 1000

Water 1.68 1.44e+003 1000

Soil 39.9 2.88e+003 1000

Sediment 58.3 1.3e+004 0

Persistence Time: 5.21e+003 hr

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