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CAS Number: 63148-58-3
SMILES : [Si](C)(C)(c2ccccc2)O[Si](C)(c3ccccc3)O[Si](C)(c4ccccc4)O[Si](C)(C)(c
1ccccc1)
CHEM : Siloxanes and Silicones, Me Ph
MOL FOR: C30 H38 O3 Si4
MOL WT : 558.98
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 13.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 519.67 (Adapted Stein & Brown method)
Melting Pt (deg C): 204.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.09E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 1.46E-008 (Modified Grain method)
Subcooled liquid VP: 8.7E-009 mm Hg (25 deg C, Mod-Grain method)
: 1.16E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.998e-007
log Kow used: 13.03 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.5898e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.26E-006 atm-m3/mole (8.37E-001 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: 4.012E-004 atm-m3/mole (4.066E+001 Pa-m3/mole)
VP: 1.09E-010 mm Hg (source: MPBPVP)
WS: 2E-007 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 13.03 (KowWin est)
Log Kaw used: -3.471 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 16.501
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9938
Biowin2 (Non-Linear Model) : 0.9062
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0519 (months )
Biowin4 (Primary Survey Model) : 3.0608 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.7840
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6772
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): 1.16E-006 Pa (8.7E-009 mm Hg)
Log Koa (Koawin est ): 16.501
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.59
Octanol/air (Koa) model: 7.78E+003
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.989
Mackay model : 0.995
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.6970 E-12 cm3/molecule-sec
Half-Life = 1.230 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 14.758 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.992 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.552E+009 L/kg (MCI method)
Log Koc: 9.744 (MCI method)
Koc : 2.034E+011 L/kg (Kow method)
Log Koc: 11.308 (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 = 1.172 (BCF = 14.85 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.7072 days (HL = 5096 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.015 (BCF = 0.9671)
Log BAF Arnot-Gobas method (upper trophic) = 2.569 (BAF = 370.6)
log Kow used: 13.03 (estimated)
Volatilization from Water:
Henry LC: 8.26E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 170 hours (7.083 days)
Half-Life from Model Lake : 2053 hours (85.53 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 0.221 29.5 1000
Water 9.48 1.44e+003 1000
Soil 82.5 2.88e+003 1000
Sediment 7.77 1.3e+004 0
Persistence Time: 2.39e+003 hr