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CAS Number: 429-67-4
SMILES : [Si](O[Si](O[Si]1(C)CCC(F)(F)F)(C)CCC(F)(F)F)(O[Si](O1)(C)CCC(F)(F)F)
(C)CCC(F)(F)F
CHEM : Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-triflu
oropropyl)-
MOL FOR: C16 H28 F12 O4 Si4
MOL WT : 624.72
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) = 12.38
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 259.53 (Adapted Stein & Brown method)
Melting Pt (deg C): 61.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00749 (Modified Grain method)
VP (Pa, 25 deg C) : 0.999 (Modified Grain method)
Subcooled liquid VP: 0.0163 mm Hg (25 deg C, Mod-Grain method)
: 2.17 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 8.046e-009
log Kow used: 12.38 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.2472e-007 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.24E+003 atm-m3/mole (3.28E+008 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: 7.652E+005 atm-m3/mole (7.753E+010 Pa-m3/mole)
VP: 0.00749 mm Hg (source: MPBPVP)
WS: 8.05E-009 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 12.38 (KowWin est)
Log Kaw used: 5.122 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.258
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.6315
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): -0.2332 (recalcitrant)
Biowin4 (Primary Survey Model) : 1.8488 (months )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5409
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7257
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): 2.17 Pa (0.0163 mm Hg)
Log Koa (Koawin est ): 7.258
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.38E-006
Octanol/air (Koa) model: 4.45E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.99E-005
Mackay model : 0.00011
Octanol/air (Koa) model: 0.000356
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.9795 E-12 cm3/molecule-sec
Half-Life = 1.789 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 21.465 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.01E-005 (Junge-Pankow, Mackay avg)
0.000356 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.777E+008 L/kg (MCI method)
Log Koc: 8.762 (MCI method)
Koc : 5.549E+010 L/kg (Kow method)
Log Koc: 10.744 (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 = 1.488 (BCF = 30.75 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 4.3975 days (HL = 2.497e+004 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.094 (BCF = 1.242)
Log BAF Arnot-Gobas method (upper trophic) = 3.247 (BAF = 1768)
log Kow used: 12.38 (estimated)
Volatilization from Water:
Henry LC: 3.24E+003 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.551 hours
Half-Life from Model Lake : 237.4 hours (9.892 days)
Removal In Wastewater Treatment:
Total removal: 94.18 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 92.44 percent
Total to Air: 0.98 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.05 42.9 1000
Water 35 4.32e+003 1000
Soil 40.2 8.64e+003 1000
Sediment 21.7 3.89e+004 0
Persistence Time: 804 hr