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CAS Number: 69430-24-6
SMILES : C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C
CHEM : Cyclosiloxanes, di-Me
MOL FOR: C6 H18 O3 Si3
MOL WT : 222.47
------------------------------ 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) = 5.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 113.51 (Adapted Stein & Brown method)
Melting Pt (deg C): 1.13 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.29 (Modified Grain method)
VP (Pa, 25 deg C) : 439 (Modified Grain method)
MP (exp database): 64.5 deg C
BP (exp database): 134 deg C
VP (exp database): 3.53E+00 mm Hg (4.71E+002 Pa) at 25 deg C
Subcooled liquid VP: 8.68 mm Hg (25 deg C, exp database VP )
: 1.16E+003 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.55
log Kow used: 5.64 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.4416 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.35E-002 atm-m3/mole (6.43E+003 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: 6.213E-001 atm-m3/mole (6.296E+004 Pa-m3/mole)
VP: 3.29 mm Hg (source: MPBPVP)
WS: 1.55 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.64 (KowWin est)
Log Kaw used: 0.414 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.226
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6416
Biowin2 (Non-Linear Model) : 0.4625
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7076 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5268 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0528
Biowin6 (MITI Non-Linear Model): 0.0223
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3587
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): 1.16E+003 Pa (8.68 mm Hg)
Log Koa (Koawin est ): 5.226
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.59E-009
Octanol/air (Koa) model: 4.13E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.36E-008
Mackay model : 2.07E-007
Octanol/air (Koa) model: 3.3E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.8976 E-12 cm3/molecule-sec
Half-Life = 11.916 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.51E-007 (Junge-Pankow, Mackay avg)
3.3E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1860 L/kg (MCI method)
Log Koc: 3.270 (MCI method)
Koc : 7.844E+004 L/kg (Kow method)
Log Koc: 4.895 (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 = 3.390 (BCF = 2457 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0975 days (HL = 12.52 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.583 (BCF = 3832)
Log BAF Arnot-Gobas method (upper trophic) = 4.113 (BAF = 1.298e+004)
log Kow used: 5.64 (estimated)
Volatilization from Water:
Henry LC: 0.0635 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.536 hours
Half-Life from Model Lake : 141.8 hours (5.909 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 97.03 percent
Total biodegradation: 0.34 percent
Total sludge adsorption: 66.08 percent
Total to Air: 30.61 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 34 494 1000
Water 36.7 900 1000
Soil 25.5 1.8e+003 1000
Sediment 3.78 8.1e+003 0
Persistence Time: 216 hr