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CAS Number: 16415-12-6
SMILES : CCCCCCCCCCCCCCCC[Si](OC)(OC)OC
CHEM :
MOL FOR: C19 H42 O3 Si1
MOL WT : 346.63
------------------------------ 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) = 6.69
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 358.71 (Adapted Stein & Brown method)
Melting Pt (deg C): 100.54 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.51E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00201 (Modified Grain method)
Subcooled liquid VP: 8.19E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0109 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.01244
log Kow used: 6.69 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.8728 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Alkoxy Silanes
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.08E-003 atm-m3/mole (6.16E+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: 5.536E-004 atm-m3/mole (5.610E+001 Pa-m3/mole)
VP: 1.51E-005 mm Hg (source: MPBPVP)
WS: 0.0124 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.69 (KowWin est)
Log Kaw used: -0.605 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.295
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6910
Biowin2 (Non-Linear Model) : 0.4826
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7315 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6167 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4238
Biowin6 (MITI Non-Linear Model): 0.2767
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5899
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): 0.0109 Pa (8.19E-005 mm Hg)
Log Koa (Koawin est ): 7.295
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000275
Octanol/air (Koa) model: 4.84E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00983
Mackay model : 0.0215
Octanol/air (Koa) model: 0.000387
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 23.4382 E-12 cm3/molecule-sec
Half-Life = 0.456 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.476 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0157 (Junge-Pankow, Mackay avg)
0.000387 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.888E+006 L/kg (MCI method)
Log Koc: 6.461 (MCI method)
Koc : 6.395E+005 L/kg (Kow method)
Log Koc: 5.806 (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 = 2.710 (BCF = 512.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0090 days (HL = 10.21 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.272 (BCF = 1873)
Log BAF Arnot-Gobas method (upper trophic) = 4.537 (BAF = 3.447e+004)
log Kow used: 6.69 (estimated)
Volatilization from Water:
Henry LC: 0.00608 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.079 hours
Half-Life from Model Lake : 178.8 hours (7.45 days)
Removal In Wastewater Treatment:
Total removal: 93.79 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 92.11 percent
Total to Air: 0.92 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.173 11 1000
Water 2.16 900 1000
Soil 30.8 1.8e+003 1000
Sediment 66.9 8.1e+003 0
Persistence Time: 2.82e+003 hr