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CAS Number: 2554-06-5
SMILES : C=C[Si]1(O[Si](O[Si](O[Si](O1)(C=C)C)(C=C)C)(C=C)C)C
CHEM : Cyclotetrasiloxane, 2,4,6,8-tetraethenyl-2,4,6,8-tetramethyl-
MOL FOR: C12 H24 O4 Si4
MOL WT : 344.66
------------------------------ 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) = 8.21
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 233.45 (Adapted Stein & Brown method)
Melting Pt (deg C): 42.41 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.107 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 14.2 (Mean VP of Antoine & Grain methods)
MP (exp database): -43.5 deg C
BP (exp database): 224 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.001777
log Kow used: 8.21 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0016316 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.92E-002 atm-m3/mole (9.04E+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: 2.731E+001 atm-m3/mole (2.767E+006 Pa-m3/mole)
VP: 0.107 mm Hg (source: MPBPVP)
WS: 0.00178 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.21 (KowWin est)
Log Kaw used: 0.562 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.648
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5835
Biowin2 (Non-Linear Model) : 0.1318
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4375 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3505 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.2373
Biowin6 (MITI Non-Linear Model): 0.0009
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3645
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): 13.3 Pa (0.0998 mm Hg)
Log Koa (Koawin est ): 7.648
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.25E-007
Octanol/air (Koa) model: 1.09E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.14E-006
Mackay model : 1.8E-005
Octanol/air (Koa) model: 0.000872
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 105.7984 E-12 cm3/molecule-sec
Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.213 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.700000 E-17 cm3/molecule-sec
Half-Life = 1.637 Days (at 7E11 mol/cm3)
Half-Life = 39.291 Hrs
Fraction sorbed to airborne particulates (phi):
1.31E-005 (Junge-Pankow, Mackay avg)
0.000872 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.131E+005 L/kg (MCI method)
Log Koc: 5.329 (MCI method)
Koc : 1.334E+007 L/kg (Kow method)
Log Koc: 7.125 (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 = 3.533 (BCF = 3409 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.2680 days (HL = 185.4 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.084 (BCF = 1212)
Log BAF Arnot-Gobas method (upper trophic) = 6.494 (BAF = 3.122e+006)
log Kow used: 8.21 (estimated)
Volatilization from Water:
Henry LC: 0.0892 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.907 hours
Half-Life from Model Lake : 176.5 hours (7.353 days)
Removal In Wastewater Treatment:
Total removal: 94.08 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.91 percent
Total to Air: 0.40 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.124 2.29 1000
Water 14 900 1000
Soil 66.9 1.8e+003 1000
Sediment 18.9 8.1e+003 0
Persistence Time: 1.09e+003 hr