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CAS Number: 556-67-2

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

CHEM : Cyclotetrasiloxane, octamethyl-

MOL FOR: C8 H24 O4 Si4

MOL WT : 296.62

------------------------------ 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) = 6.79

Log Kow (Exper. database match) = 6.74

Exper. Ref: SEHSC (2009); average

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

Boiling Pt (deg C): 159.41 (Adapted Stein & Brown method)

Melting Pt (deg C): 1.78 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.18 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 158 (Mean VP of Antoine & Grain methods)

MP (exp database): 17.5 deg C

BP (exp database): 175.8 deg C

VP (exp database): 1.05E+00 mm Hg (1.40E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.06124

log Kow used: 6.74 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.005 mg/L (25 deg C)

Exper. Ref: DOW CORNING (1987)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.17229 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 8.72E-002 atm-m3/mole (8.84E+003 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 1.17E-01 atm-m3/mole (1.19E+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: 7.520E+000 atm-m3/mole (7.620E+005 Pa-m3/mole)

VP: 1.18 mm Hg (source: MPBPVP)

WS: 0.0612 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.74 (exp database)

Log Kaw used: 0.680 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.060

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6063

Biowin2 (Non-Linear Model) : 0.2309

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5437 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4198 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.1670

Biowin6 (MITI Non-Linear Model): 0.0028

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1995

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): 140 Pa (1.05 mm Hg)

Log Koa (Koawin est ): 6.060

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

Mackay model : 2.14E-008

Octanol/air (Koa) model: 2.82E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.74E-007

Mackay model : 1.71E-006

Octanol/air (Koa) model: 2.25E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.1968 E-12 cm3/molecule-sec

Half-Life = 8.937 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 107.246 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.24E-006 (Junge-Pankow, Mackay avg)

2.25E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.444E+004 L/kg (MCI method)

Log Koc: 4.159 (MCI method)

Koc : 7.067E+005 L/kg (Kow method)

Log Koc: 5.849 (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 = 4.114 (BCF = 1.3e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7346 days (HL = 54.28 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.882 (BCF = 7620)

Log BAF Arnot-Gobas method (upper trophic) = 6.249 (BAF = 1.774e+006)

log Kow used: 6.74 (expkow database)

Volatilization from Water:

Henry LC: 0.117 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.766 hours

Half-Life from Model Lake : 163.7 hours (6.82 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 95.47 percent

Total biodegradation: 0.61 percent

Total sludge adsorption: 83.53 percent

Total to Air: 11.33 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 15.1 254 1000

Water 22.3 900 1000

Soil 47.9 1.8e+003 1000

Sediment 14.7 8.1e+003 0

Persistence Time: 397 hr

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