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CAS Number: 820207-10-1
SMILES : C[Si](C)(CC(c1ccccc1)c2ccccc2)O[Si](C)(C)CC(c3ccccc3)c4ccccc4
CHEM :
MOL FOR: C32 H38 O1 Si2
MOL WT : 494.83
------------------------------ 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) = 11.88
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 525.32 (Adapted Stein & Brown method)
Melting Pt (deg C): 209.05 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.96E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 9.28E-009 (Modified Grain method)
Subcooled liquid VP: 6.24E-009 mm Hg (25 deg C, Mod-Grain method)
: 8.32E-007 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.29e-008
log Kow used: 11.88 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.9483e-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 : 2.27E-005 atm-m3/mole (2.30E+000 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: 1.979E-003 atm-m3/mole (2.005E+002 Pa-m3/mole)
VP: 6.96E-011 mm Hg (source: MPBPVP)
WS: 2.29E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 11.88 (KowWin est)
Log Kaw used: -3.032 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.912
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1337
Biowin2 (Non-Linear Model) : 0.9870
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0440 (months )
Biowin4 (Primary Survey Model) : 3.0163 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5146
Biowin6 (MITI Non-Linear Model): 0.0004
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6288
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): 8.32E-007 Pa (6.24E-009 mm Hg)
Log Koa (Koawin est ): 14.912
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.61
Octanol/air (Koa) model: 200
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.992
Mackay model : 0.997
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 26.4020 E-12 cm3/molecule-sec
Half-Life = 0.405 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.861 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.994 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.362E+009 L/kg (MCI method)
Log Koc: 9.373 (MCI method)
Koc : 2.043E+010 L/kg (Kow method)
Log Koc: 10.310 (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 = 1.731 (BCF = 53.86 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.5091 days (HL = 322.9 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.137 (BCF = 1.372)
Log BAF Arnot-Gobas method (upper trophic) = 3.267 (BAF = 1850)
log Kow used: 11.88 (estimated)
Volatilization from Water:
Henry LC: 2.27E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 59.64 hours (2.485 days)
Half-Life from Model Lake : 837.2 hours (34.88 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 0.108 9.72 1000
Water 6.8 1.44e+003 1000
Soil 62 2.88e+003 1000
Sediment 31.1 1.3e+004 0
Persistence Time: 2.77e+003 hr