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CAS Number: 540-97-6

SMILES : C[Si]1(O[Si](O[Si](O[Si](O[Si](C)(C)O[Si](O1)(C)C)(C)C)(C)C)(C)C)C

CHEM : Cyclohexasiloxane, dodecamethyl-

MOL FOR: C12 H36 O6 Si6

MOL WT : 444.93

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

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 v1.67 estimate) = 6.33

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

Boiling Pt (deg C): 226.77 (Adapted Stein & Brown method)

Melting Pt (deg C): -8.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0355 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.74 (Mean VP of Antoine & Grain methods)

MP (exp database): -3 deg C

BP (exp database): 245 deg C

VP (exp database): 2.25E-02 mm Hg (3.00E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.005007

log Kow used: 6.33 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.0051 mg/L (25 deg C)

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

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0020761 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.65E-001 atm-m3/mole (1.67E+004 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 1.05E-01 atm-m3/mole (1.06E+004 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: 4.151E+000 atm-m3/mole (4.206E+005 Pa-m3/mole)

VP: 0.0355 mm Hg (source: MPBPVP)

WS: 0.00501 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.33 (KowWin est)

Log Kaw used: 0.633 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.697

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5357

Biowin2 (Non-Linear Model) : 0.0353

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2159 (months )

Biowin4 (Primary Survey Model) : 3.2058 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.6066

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): 3 Pa (0.0225 mm Hg)

Log Koa (Koawin est ): 5.697

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

Mackay model : 1E-006

Octanol/air (Koa) model: 1.22E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.61E-005

Mackay model : 8E-005

Octanol/air (Koa) model: 9.77E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.7952 E-12 cm3/molecule-sec

Half-Life = 5.958 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 71.497 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.81E-005 (Junge-Pankow, Mackay avg)

9.77E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8.695E+005 L/kg (MCI method)

Log Koc: 5.939 (MCI method)

Koc : 3.115E+005 L/kg (Kow method)

Log Koc: 5.493 (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 = 3.843 (BCF = 6960 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.2083 days (HL = 161.5 days)

Log BCF Arnot-Gobas method (upper trophic) = 4.187 (BCF = 1.539e+004)

Log BAF Arnot-Gobas method (upper trophic) = 6.429 (BAF = 2.685e+006)

log Kow used: 6.33 (estimated)

Volatilization from Water:

Henry LC: 0.105 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.164 hours

Half-Life from Model Lake : 200.5 hours (8.353 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.38 percent

Total biodegradation: 0.49 percent

Total sludge adsorption: 76.73 percent

Total to Air: 19.16 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.844 143 1000

Water 2.08 1.44e+003 1000

Soil 37 2.88e+003 1000

Sediment 60.1 1.3e+004 0

Persistence Time: 3.46e+003 hr

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