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CAS Number: 17955-88-3
SMILES : C[Si](C)(C)O[Si](CCCCCCCC)(C)O[Si](C)(C)C
CHEM :
MOL FOR: C15 H38 O2 Si3
MOL WT : 334.73
------------------------------ 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) = 10.14
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 276.67 (Adapted Stein & Brown method)
Melting Pt (deg C): 25.57 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0066 (Modified Grain method)
VP (Pa, 25 deg C) : 0.88 (Modified Grain method)
Subcooled liquid VP: 0.00667 mm Hg (25 deg C, Mod-Grain method)
: 0.89 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.972e-006
log Kow used: 10.14 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.5653e-005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.03E+000 atm-m3/mole (3.07E+005 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: 4.169E+002 atm-m3/mole (4.225E+007 Pa-m3/mole)
VP: 0.0066 mm Hg (source: MPBPVP)
WS: 6.97E-006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.14 (KowWin est)
Log Kaw used: 2.093 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.047
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6966
Biowin2 (Non-Linear Model) : 0.5248
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7578 (weeks )
Biowin4 (Primary Survey Model) : 3.6339 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0655
Biowin6 (MITI Non-Linear Model): 0.0184
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0637
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): 0.889 Pa (0.00667 mm Hg)
Log Koa (Koawin est ): 8.047
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.37E-006
Octanol/air (Koa) model: 2.74E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000122
Mackay model : 0.00027
Octanol/air (Koa) model: 0.00218
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 10.6922 E-12 cm3/molecule-sec
Half-Life = 1.000 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 12.004 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000196 (Junge-Pankow, Mackay avg)
0.00218 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.898E+005 L/kg (MCI method)
Log Koc: 5.278 (MCI method)
Koc : 6.311E+008 L/kg (Kow method)
Log Koc: 8.800 (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 = 1.988 (BCF = 97.36 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.8856 days (HL = 768.5 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.603 (BCF = 40.05)
Log BAF Arnot-Gobas method (upper trophic) = 5.245 (BAF = 1.76e+005)
log Kow used: 10.14 (estimated)
Volatilization from Water:
Henry LC: 3.03 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.867 hours
Half-Life from Model Lake : 173.8 hours (7.241 days)
Removal In Wastewater Treatment:
Total removal: 94.06 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.12 percent
Total to Air: 0.16 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.75 24 1000
Water 51.5 360 1000
Soil 41.3 720 1000
Sediment 0.418 3.24e+003 0
Persistence Time: 221 hr