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CAS Number: 107-46-0

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

CHEM : Disiloxane, hexamethyl-

MOL FOR: C6 H18 O1 Si2

MOL WT : 162.38

------------------------------ 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) = 5.25

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

Boiling Pt (deg C): 87.60 (Adapted Stein & Brown method)

Melting Pt (deg C): -79.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 39.1 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.21E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -66 deg C

BP (exp database): 99 deg C

VP (exp database): 4.21E+01 mm Hg (5.61E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.9168

log Kow used: 5.25 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.93 mg/L (25 deg C)

Exper. Ref: KOCHETKOV,A ET AL. (2001)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.3556 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.04E-001 atm-m3/mole (3.08E+004 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 4.53E-02 atm-m3/mole (4.59E+003 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 9.112E+000 atm-m3/mole (9.233E+005 Pa-m3/mole)

VP: 39.1 mm Hg (source: MPBPVP)

WS: 0.917 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.25 (KowWin est)

Log Kaw used: 0.268 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.982

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6702

Biowin2 (Non-Linear Model) : 0.6688

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8403 (weeks )

Biowin4 (Primary Survey Model) : 3.6135 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2315

Biowin6 (MITI Non-Linear Model): 0.1145

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3587

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): 5.61E+003 Pa (42.1 mm Hg)

Log Koa (Koawin est ): 4.982

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

Mackay model : 5.34E-010

Octanol/air (Koa) model: 2.36E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.93E-008

Mackay model : 4.28E-008

Octanol/air (Koa) model: 1.88E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.8976 E-12 cm3/molecule-sec

Half-Life = 11.916 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.1E-008 (Junge-Pankow, Mackay avg)

1.88E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 340.7 L/kg (MCI method)

Log Koc: 2.532 (MCI method)

Koc : 3.598E+004 L/kg (Kow method)

Log Koc: 4.556 (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 = 3.130 (BCF = 1349 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.1302 days (HL = 13.5 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.575 (BCF = 3754)

Log BAF Arnot-Gobas method (upper trophic) = 3.895 (BAF = 7849)

log Kow used: 5.25 (estimated)

Volatilization from Water:

Henry LC: 0.0453 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.317 hours

Half-Life from Model Lake : 121.2 hours (5.051 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.64 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 59.05 percent

Total to Air: 37.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 42.9 186 1000

Water 45.3 360 1000

Soil 11.2 720 1000

Sediment 0.647 3.24e+003 0

Persistence Time: 137 hr

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