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: 17596-96-2
SMILES : CC(C(=O)O[Si](C)(C)C)O[Si](C)(C)C
CHEM :
MOL FOR: C9 H22 O3 Si2
MOL WT : 234.45
------------------------------ 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) = 3.57
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 191.75 (Adapted Stein & Brown method)
Melting Pt (deg C): -18.16 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.543 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 72.4 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 25.51
log Kow used: 3.57 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 49225 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Alkoxy Silanes
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.80E-003 atm-m3/mole (6.89E+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: 6.566E-003 atm-m3/mole (6.653E+002 Pa-m3/mole)
VP: 0.543 mm Hg (source: MPBPVP)
WS: 25.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.57 (KowWin est)
Log Kaw used: -0.556 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.126
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6359
Biowin2 (Non-Linear Model) : 0.4206
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6811 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5095 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0331
Biowin6 (MITI Non-Linear Model): 0.0147
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1132
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): 66 Pa (0.495 mm Hg)
Log Koa (Koawin est ): 4.126
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.55E-008
Octanol/air (Koa) model: 3.28E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.64E-006
Mackay model : 3.64E-006
Octanol/air (Koa) model: 2.62E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 4.7334 E-12 cm3/molecule-sec
Half-Life = 2.260 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 27.116 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.64E-006 (Junge-Pankow, Mackay avg)
2.62E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 134.6 L/kg (MCI method)
Log Koc: 2.129 (MCI method)
Koc : 468.3 L/kg (Kow method)
Log Koc: 2.670 (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 = 2.025 (BCF = 106 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.4848 days (HL = 3.054 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.481 (BCF = 303)
Log BAF Arnot-Gobas method (upper trophic) = 2.482 (BAF = 303.6)
log Kow used: 3.57 (estimated)
Volatilization from Water:
Henry LC: 0.0068 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.694 hours
Half-Life from Model Lake : 146.9 hours (6.12 days)
Removal In Wastewater Treatment:
Total removal: 75.00 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 9.81 percent
Total to Air: 65.11 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 23.3 54.2 1000
Water 50.7 900 1000
Soil 25.6 1.8e+003 1000
Sediment 0.428 8.1e+003 0
Persistence Time: 159 hr