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CAS Number: 541-02-6

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

CHEM : Cyclopentasiloxane, decamethyl-

MOL FOR: C10 H30 O5 Si5

MOL WT : 370.78

------------------------------ 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) = 5.71

Log Kow (Exper. database match) = 5.20

Exper. Ref: BRUGGEMAN,WA ET AL. (1984)

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

Boiling Pt (deg C): 196.78 (Adapted Stein & Brown method)

Melting Pt (deg C): -5.19 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.218 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 29.1 (Mean VP of Antoine & Grain methods)

MP (exp database): -38 deg C

BP (exp database): 210 deg C

VP (exp database): 2.00E-01 mm Hg (2.67E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.04646

log Kow used: 5.20 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.017 mg/L (25 deg C)

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

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.019303 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.20E-001 atm-m3/mole (1.21E+004 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 3.06E-01 atm-m3/mole (3.10E+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: 2.289E+000 atm-m3/mole (2.320E+005 Pa-m3/mole)

VP: 0.218 mm Hg (source: MPBPVP)

WS: 0.0465 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.20 (exp database)

Log Kaw used: 1.097 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.103

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5710

Biowin2 (Non-Linear Model) : 0.0948

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3798 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3128 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.3868

Biowin6 (MITI Non-Linear Model): 0.0003

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0404

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): 26.7 Pa (0.2 mm Hg)

Log Koa (Koawin est ): 4.103

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

Mackay model : 1.12E-007

Octanol/air (Koa) model: 3.11E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.06E-006

Mackay model : 9E-006

Octanol/air (Koa) model: 2.49E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.4960 E-12 cm3/molecule-sec

Half-Life = 7.150 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 85.797 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.53E-006 (Junge-Pankow, Mackay avg)

2.49E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.12E+005 L/kg (MCI method)

Log Koc: 5.049 (MCI method)

Koc : 3.256E+004 L/kg (Kow method)

Log Koc: 4.513 (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 = 3.098 (BCF = 1253 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.5614 days (HL = 36.42 days)

Log BCF Arnot-Gobas method (upper trophic) = 4.013 (BCF = 1.029e+004)

Log BAF Arnot-Gobas method (upper trophic) = 5.267 (BAF = 1.85e+005)

log Kow used: 5.20 (expkow database)

Volatilization from Water:

Henry LC: 0.306 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.969 hours

Half-Life from Model Lake : 182.9 hours (7.622 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.40 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 52.77 percent

Total to Air: 46.46 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.06 166 1000

Water 7.92 900 1000

Soil 42 1.8e+003 1000

Sediment 45 8.1e+003 0

Persistence Time: 937 hr

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