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CAS Number: 107-51-7
SMILES : C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
CHEM : Octamethyltrisiloxane
MOL FOR: C8 H24 O2 Si3
MOL WT : 236.54
------------------------------ 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) = 6.70
Log Kow (Exper. database match) = 6.60
Exper. Ref: SEHSC (2009)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 142.12 (Adapted Stein & Brown method)
Melting Pt (deg C): -53.16 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.49 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 465 (Mean VP of Antoine & Grain methods)
MP (exp database): -80 deg C
BP (exp database): 153 deg C
VP (exp database): 3.34E+00 mm Hg (4.45E+002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.02701
log Kow used: 6.60 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 0.034 mg/L (25 deg C)
Exper. Ref: KOCHETKOV,A ET AL. (2001)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.063525 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.18E-001 atm-m3/mole (4.23E+004 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 3.28E+00 atm-m3/mole (3.32E+005 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: 4.022E+001 atm-m3/mole (4.075E+006 Pa-m3/mole)
VP: 3.49 mm Hg (source: MPBPVP)
WS: 0.027 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.60 (exp database)
Log Kaw used: 2.127 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.473
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6349
Biowin2 (Non-Linear Model) : 0.4134
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6765 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5065 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0117
Biowin6 (MITI Non-Linear Model): 0.0156
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): 445 Pa (3.34 mm Hg)
Log Koa (Koawin est ): 4.473
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.74E-009
Octanol/air (Koa) model: 7.29E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.43E-007
Mackay model : 5.39E-007
Octanol/air (Koa) model: 5.84E-007
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):
3.91E-007 (Junge-Pankow, Mackay avg)
5.84E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2644 L/kg (MCI method)
Log Koc: 3.422 (MCI method)
Koc : 5.342E+005 L/kg (Kow method)
Log Koc: 5.728 (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 = 4.022 (BCF = 1.051e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.8457 days (HL = 70.09 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.924 (BCF = 8396)
Log BAF Arnot-Gobas method (upper trophic) = 6.139 (BAF = 1.376e+006)
log Kow used: 6.60 (expkow database)
Volatilization from Water:
Henry LC: 3.28 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.57 hours
Half-Life from Model Lake : 146.1 hours (6.087 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.60 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 61.58 percent
Total to Air: 37.81 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 39.1 214 1000
Water 52.9 900 1000
Soil 1.38 1.8e+003 1000
Sediment 6.65 8.1e+003 0
Persistence Time: 163 hr