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CAS Number: 2530-83-8
SMILES : CO[Si](CCCOCC1CO1)(OC)OC
CHEM : Silane, trimethoxy[3-(oxiranylmethoxy)propyl]-
MOL FOR: C9 H20 O5 Si1
MOL WT : 236.34
------------------------------ 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) = -0.92
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 253.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 46.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0142 (Modified Grain method)
VP (Pa, 25 deg C) : 1.9 (Modified Grain method)
Subcooled liquid VP: 0.0225 mm Hg (25 deg C, Mod-Grain method)
: 3 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.7e+005
log Kow used: -0.92 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Epoxides, mono
Silanes (alkoxy)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.88E-009 atm-m3/mole (3.93E-004 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: 2.598E-008 atm-m3/mole (2.632E-003 Pa-m3/mole)
VP: 0.0142 mm Hg (source: MPBPVP)
WS: 1.7E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.92 (KowWin est)
Log Kaw used: -6.800 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.880
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0597
Biowin2 (Non-Linear Model) : 0.0007
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6595 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4873 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2430
Biowin6 (MITI Non-Linear Model): 0.0673
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1063
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): 3 Pa (0.0225 mm Hg)
Log Koa (Koawin est ): 5.880
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1E-006
Octanol/air (Koa) model: 1.86E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.61E-005
Mackay model : 8E-005
Octanol/air (Koa) model: 1.49E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 22.2872 E-12 cm3/molecule-sec
Half-Life = 0.480 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.759 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
5.81E-005 (Junge-Pankow, Mackay avg)
1.49E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 437.9 L/kg (MCI method)
Log Koc: 2.641 (MCI method)
Koc : 1.718 L/kg (Kow method)
Log Koc: 0.235 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 3.545E-003 L/mol-sec
Ka Half-Life at pH 7: 61.947 years
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5300 days (HL = 0.02951 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.9)
Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.9)
log Kow used: -0.92 (estimated)
Volatilization from Water:
Henry LC: 3.88E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.32E+005 hours (9666 days)
Half-Life from Model Lake : 2.531E+006 hours (1.055E+005 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 0.0277 11.5 1000
Water 13.1 900 1000
Soil 86.5 1.8e+003 1000
Sediment 0.319 8.1e+003 0
Persistence Time: 1.71e+003 hr