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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

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