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CAS Number: 18758-91-3
SMILES : O([Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1ccccc1)[Si](O[Si](C)(C)C)(O[Si](C
)(C)C)c2ccccc2
CHEM :
MOL FOR: C24 H46 O5 Si6
MOL WT : 583.14
------------------------------ 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) = 13.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 408.56 (Adapted Stein & Brown method)
Melting Pt (deg C): 110.68 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.39E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 9.85E-005 (Modified Grain method)
Subcooled liquid VP: 5.14E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000686 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5.444e-008
log Kow used: 13.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.8314e-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 : 4.11E-003 atm-m3/mole (4.17E+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: 1.042E+001 atm-m3/mole (1.055E+006 Pa-m3/mole)
VP: 7.39E-007 mm Hg (source: MPBPVP)
WS: 5.44E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 13.50 (KowWin est)
Log Kaw used: -0.775 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.275
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7261
Biowin2 (Non-Linear Model) : 0.1579
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9545 (months )
Biowin4 (Primary Survey Model) : 3.0162 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.9356
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6367
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): 0.000685 Pa (5.14E-006 mm Hg)
Log Koa (Koawin est ): 14.275
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00438
Octanol/air (Koa) model: 46.2
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.137
Mackay model : 0.259
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.6949 E-12 cm3/molecule-sec
Half-Life = 1.878 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 22.538 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.198 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.429E+008 L/kg (MCI method)
Log Koc: 8.808 (MCI method)
Koc : 5.203E+011 L/kg (Kow method)
Log Koc: 11.716 (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 = 0.938 (BCF = 8.672 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 4.6604 days (HL = 4.575e+004 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9196)
Log BAF Arnot-Gobas method (upper trophic) = 2.132 (BAF = 135.6)
log Kow used: 13.50 (estimated)
Volatilization from Water:
Henry LC: 0.00411 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.808 hours
Half-Life from Model Lake : 233.1 hours (9.713 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 0.615 45.1 1000
Water 12.6 1.44e+003 1000
Soil 86.4 2.88e+003 1000
Sediment 0.41 1.3e+004 0
Persistence Time: 1.82e+003 hr