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CAS Number: 107-50-6
SMILES : C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](C)(C)O[Si](C)(C)O[Si](C)(C
)O1)(C)C
CHEM : Tetradecamethylcycloheptasiloxane
MOL FOR: C14 H42 O7 Si7
MOL WT : 519.09
------------------------------ EPI SUMMARY (v4.00) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 6.95
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 250.41 (Adapted Stein & Brown method)
Melting Pt (deg C): 2.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0266 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.55 (Mean VP of Antoine & Grain methods)
MP (exp database): -26 deg C
BP (exp database): 154 @ 20 mm Hg deg C
VP (exp database): 1.12E-02 mm Hg (1.49E+000 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.001425
log Kow used: 6.95 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0002171 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.26E-001 atm-m3/mole (2.29E+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: 1.275E+001 atm-m3/mole (1.292E+006 Pa-m3/mole)
VP: 0.0266 mm Hg (source: MPBPVP)
WS: 0.00143 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.95 (KowWin est)
Log Kaw used: 0.966 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.984
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5004
Biowin2 (Non-Linear Model) : 0.0126
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0521 (months )
Biowin4 (Primary Survey Model) : 3.0988 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.8264
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2779
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): 1.49 Pa (0.0112 mm Hg)
Log Koa (Koawin est ): 5.984
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.01E-006
Octanol/air (Koa) model: 2.37E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.26E-005
Mackay model : 0.000161
Octanol/air (Koa) model: 1.89E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.0944 E-12 cm3/molecule-sec
Half-Life = 5.107 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 61.283 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000117 (Junge-Pankow, Mackay avg)
1.89E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.748E+006 L/kg (MCI method)
Log Koc: 6.829 (MCI method)
Koc : 1.075E+006 L/kg (Kow method)
Log Koc: 6.032 (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 v3.00):
Log BCF from regression-based method = 4.252 (BCF = 1.787e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.6991 days (HL = 500.1 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.517 (BCF = 3289)
Log BAF Arnot-Gobas method (upper trophic) = 5.664 (BAF = 4.616e+005)
log Kow used: 6.95 (estimated)
Volatilization from Water:
Henry LC: 0.226 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.331 hours
Half-Life from Model Lake : 216.5 hours (9.019 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 95.79 percent
Total biodegradation: 0.59 percent
Total sludge adsorption: 82.41 percent
Total to Air: 12.79 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.506 123 1000
Water 1.45 1.44e+003 1000
Soil 30.2 2.88e+003 1000
Sediment 67.8 1.3e+004 0
Persistence Time: 4.48e+003 hr