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CAS Num: 009016-00-6
SMILES : O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O
CHEM : Polydimethylsiloxane
MOL FOR: C12 H38 O7 Si6
MOL WT : 462.95
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.60
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 344.16 (Adapted Stein & Brown method)
Melting Pt (deg C): 39.57 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.76E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000367 (Modified Grain method)
Subcooled liquid VP: 3.73E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000498 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.004528
log Kow used: 3.60 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.45917 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.67E-008 atm-m3/mole (5.74E-003 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.713E-004 atm-m3/mole (3.762E+001 Pa-m3/mole)
VP: 2.76E-006 mm Hg (source: MPBPVP)
WS: 0.00453 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.60 (KowWin est)
Log Kaw used: -5.635 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.235
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5271
Biowin2 (Non-Linear Model) : 0.0275
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1761 (months )
Biowin4 (Primary Survey Model) : 3.1798 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.6602
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): 0.000497 Pa (3.73E-006 mm Hg)
Log Koa (Koawin est ): 9.235
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00603
Octanol/air (Koa) model: 0.000422
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.179
Mackay model : 0.325
Octanol/air (Koa) model: 0.0326
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.6952 E-12 cm3/molecule-sec
Half-Life = 1.230 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 14.761 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.252 (Junge-Pankow, Mackay avg)
0.0326 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.236E+006 L/kg (MCI method)
Log Koc: 6.092 (MCI method)
Koc : 1331 L/kg (Kow method)
Log Koc: 3.124 (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 = 2.041 (BCF = 110 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3231 days (HL = 21.04 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.603 (BCF = 400.6)
Log BAF Arnot-Gobas method (upper trophic) = 2.623 (BAF = 420)
log Kow used: 3.60 (estimated)
Volatilization from Water:
Henry LC: 5.67E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.222E+004 hours (925.8 days)
Half-Life from Model Lake : 2.426E+005 hours (1.011E+004 days)
Removal In Wastewater Treatment:
Total removal: 15.52 percent
Total biodegradation: 0.20 percent
Total sludge adsorption: 15.31 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.084 29.5 1000
Water 1.68 1.44e+003 1000
Soil 39.9 2.88e+003 1000
Sediment 58.3 1.3e+004 0
Persistence Time: 5.21e+003 hr