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CAS Number: 71750-80-6

SMILES : [Si](C)(C)(O[Si](OC)(OC)CCCNCCN)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)(O[S


CHEM : Siloxanes and Silicones, di-Me, [[[3-[(2-aminoethyl)amino]propyl]dime


MOL FOR: C22 H62 N4 O9 Si6

MOL WT : 695.27

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Physical Property Inputs:

------------------------------ EPI SUMMARY (v3.20) --------------------------

Water Solubility (mg/L): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 4.04

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 509.43 (Adapted Stein & Brown method)

Melting Pt (deg C): 217.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.42E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 1.89E-008 (Modified Grain method)

Subcooled liquid VP: 1.58E-008 mm Hg (25 deg C, Mod-Grain method)

: 2.11E-006 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.3868

log Kow used: 4.04 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2327.7 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

Silanes (alkoxy)

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 9.20E-020 atm-m3/mole (9.32E-015 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: 3.358E-010 atm-m3/mole (3.403E-005 Pa-m3/mole)

VP: 1.42E-010 mm Hg (source: MPBPVP)

WS: 0.387 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 4.04 (KowWin est)

Log Kaw used: -17.425 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 21.465

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0319

Biowin2 (Non-Linear Model) : 0.0813

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.7605 (months )

Biowin4 (Primary Survey Model) : 3.0177 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.7241

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8503

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): 2.11E-006 Pa (1.58E-008 mm Hg)

Log Koa (Koawin est ): 21.465

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.42

Octanol/air (Koa) model: 7.16E+008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.981

Mackay model : 0.991

Octanol/air (Koa) model: 1

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 241.9729 E-12 cm3/molecule-sec

Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.530 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.986 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.499E+009 L/kg (MCI method)

Log Koc: 9.176 (MCI method)

Koc : 1069 L/kg (Kow method)

Log Koc: 3.029 (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 = 0.956 (BCF = 9.035 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.7307 days (HL = 537.9 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.048 (BCF = 1116)

Log BAF Arnot-Gobas method (upper trophic) = 3.385 (BAF = 2427)

log Kow used: 4.04 (estimated)

Volatilization from Water:

Henry LC: 9.2E-020 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.678E+016 hours (6.992E+014 days)

Half-Life from Model Lake : 1.831E+017 hours (7.627E+015 days)

Removal In Wastewater Treatment:

Total removal: 31.92 percent

Total biodegradation: 0.34 percent

Total sludge adsorption: 31.59 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 1.61e-011 1.06 1000

Water 1.07 1.44e+003 1000

Soil 41.6 2.88e+003 1000

Sediment 57.3 1.3e+004 0

Persistence Time: 6.33e+003 hr

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