This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 286938-65-6
SMILES : CCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
CHEM :
MOL FOR: C21 H50 O2 Si3
MOL WT : 418.89
------------------------------ 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) = 13.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 357.33 (Adapted Stein & Brown method)
Melting Pt (deg C): 82.93 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.47E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00329 (Modified Grain method)
Subcooled liquid VP: 8.84E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0118 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.482e-009
log Kow used: 13.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.1889e-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 : 1.66E+001 atm-m3/mole (1.68E+006 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: 2.100E+003 atm-m3/mole (2.128E+008 Pa-m3/mole)
VP: 2.47E-005 mm Hg (source: MPBPVP)
WS: 6.48E-009 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 13.09 (KowWin est)
Log Kaw used: 2.832 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.258
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6566
Biowin2 (Non-Linear Model) : 0.2505
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5718 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5125 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1116
Biowin6 (MITI Non-Linear Model): 0.0213
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2196
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): 0.0118 Pa (8.84E-005 mm Hg)
Log Koa (Koawin est ): 10.258
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000255
Octanol/air (Koa) model: 0.00445
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00911
Mackay model : 0.02
Octanol/air (Koa) model: 0.262
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 19.1705 E-12 cm3/molecule-sec
Half-Life = 0.558 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.695 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0145 (Junge-Pankow, Mackay avg)
0.262 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.955E+006 L/kg (MCI method)
Log Koc: 6.842 (MCI method)
Koc : 2.293E+011 L/kg (Kow method)
Log Koc: 11.360 (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 = 1.141 (BCF = 13.84 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.7206 days (HL = 5255 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.019 (BCF = 0.9573)
Log BAF Arnot-Gobas method (upper trophic) = 2.508 (BAF = 321.9)
log Kow used: 13.09 (estimated)
Volatilization from Water:
Henry LC: 16.6 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.089 hours
Half-Life from Model Lake : 194.4 hours (8.1 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 1.31 13.4 1000
Water 30.3 900 1000
Soil 68.3 1.8e+003 1000
Sediment 0.0205 8.1e+003 0
Persistence Time: 621 hr