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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