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CAS Number: 3982-82-9
SMILES : C[Si](O[Si](c1ccccc1)(c2ccccc2)C)(O[Si](c3ccccc3)(c4ccccc4)C)C
CHEM : Trisiloxane, 1,3,3,5-tetramethyl-1,1,5,5-tetraphenyl-
MOL FOR: C28 H32 O2 Si3
MOL WT : 484.82
------------------------------ 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) = 11.57
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 496.68 (Adapted Stein & Brown method)
Melting Pt (deg C): 192.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.86E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 7.82E-008 (Modified Grain method)
Subcooled liquid VP: 3.33E-008 mm Hg (25 deg C, Mod-Grain method)
: 4.44E-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): 1.553e-006
log Kow used: 11.57 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.8482e-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 : 6.01E-006 atm-m3/mole (6.09E-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: 2.407E-004 atm-m3/mole (2.439E+001 Pa-m3/mole)
VP: 5.86E-010 mm Hg (source: MPBPVP)
WS: 1.55E-006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 11.57 (KowWin est)
Log Kaw used: -3.610 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.180
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0291
Biowin2 (Non-Linear Model) : 0.9651
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2158 (months )
Biowin4 (Primary Survey Model) : 3.1678 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5642
Biowin6 (MITI Non-Linear Model): 0.0001
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5181
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): 4.44E-006 Pa (3.33E-008 mm Hg)
Log Koa (Koawin est ): 15.180
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.676
Octanol/air (Koa) model: 372
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.961
Mackay model : 0.982
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.3978 E-12 cm3/molecule-sec
Half-Life = 1.274 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 15.284 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.971 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7.154E+008 L/kg (MCI method)
Log Koc: 8.855 (MCI method)
Koc : 1.1E+010 L/kg (Kow method)
Log Koc: 10.041 (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 = 1.885 (BCF = 76.67 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.9600 days (HL = 911.9 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.389 (BCF = 2.451)
Log BAF Arnot-Gobas method (upper trophic) = 3.855 (BAF = 7154)
log Kow used: 11.57 (estimated)
Volatilization from Water:
Henry LC: 6.01E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 216.7 hours (9.031 days)
Half-Life from Model Lake : 2549 hours (106.2 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 0.194 30.6 1000
Water 7.4 1.44e+003 1000
Soil 70.8 2.88e+003 1000
Sediment 21.6 1.3e+004 0
Persistence Time: 2.79e+003 hr