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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


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

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