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CAS Number: 203265-11-6
SMILES : CC(C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC(C)c1ccccc1)c2ccccc2
CHEM :
MOL FOR: C24 H40 O2 Si3
MOL WT : 444.84
------------------------------ 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) = 11.94
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 407.21 (Adapted Stein & Brown method)
Melting Pt (deg C): 125.81 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.48E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 7.31E-005 (Modified Grain method)
Subcooled liquid VP: 5.55E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.00074 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4.286e-008
log Kow used: 11.94 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.4484e-007 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.45E-003 atm-m3/mole (8.56E+002 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: 7.484E+000 atm-m3/mole (7.583E+005 Pa-m3/mole)
VP: 5.48E-007 mm Hg (source: MPBPVP)
WS: 4.29E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 11.94 (KowWin est)
Log Kaw used: -0.462 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.402
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9013
Biowin2 (Non-Linear Model) : 0.8091
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1104 (months )
Biowin4 (Primary Survey Model) : 3.0787 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.4465
Biowin6 (MITI Non-Linear Model): 0.0005
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4292
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): 0.00074 Pa (5.55E-006 mm Hg)
Log Koa (Koawin est ): 12.402
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00405
Octanol/air (Koa) model: 0.619
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.128
Mackay model : 0.245
Octanol/air (Koa) model: 0.98
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.7838 E-12 cm3/molecule-sec
Half-Life = 0.601 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.217 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.186 (Junge-Pankow, Mackay avg)
0.98 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.812E+007 L/kg (MCI method)
Log Koc: 7.581 (MCI method)
Koc : 2.303E+010 L/kg (Kow method)
Log Koc: 10.362 (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 = 1.705 (BCF = 50.72 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.0322 days (HL = 1077 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.204 (BCF = 1.598)
Log BAF Arnot-Gobas method (upper trophic) = 3.517 (BAF = 3288)
log Kow used: 11.94 (estimated)
Volatilization from Water:
Henry LC: 0.00845 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.298 hours
Half-Life from Model Lake : 201.9 hours (8.413 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.312 14.4 1000
Water 13.2 1.44e+003 1000
Soil 85.6 2.88e+003 1000
Sediment 0.923 1.3e+004 0
Persistence Time: 1.72e+003 hr