Octamethylcyclotetrasiloxane C8H24O4Si4 structure – Flashcards

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 5.09
 Log Kow (Exper. database match) = 5.10
 Exper. Ref: TSCATS

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 159.41 (Adapted Stein & Brown method)
 Melting Pt (deg C): 1.78 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 1.18 (Mean VP of Antoine & Grain methods)
 MP (exp database): 17.5 deg C
 BP (exp database): 175.8 deg C
 VP (exp database): 1.05E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 0.05475
 log Kow used: 5.10 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 0.005 mg/L (25 deg C)
 Exper. Ref: DOW CORNING (1987)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 0.17229 mg/L
 Wat Sol (Exper. database match) = 0.01
 Exper. Ref: DOW CORNING (1987)

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 8.72E-002 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 1.17E-01 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 8.412E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 5.10 (exp database)
 Log Kaw used: 0.680 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 4.420
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6063
 Biowin2 (Non-Linear Model) : 0.2309
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.5437 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.4198 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : -0.1670
 Biowin6 (MITI Non-Linear Model): 0.0028
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.1995
 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): 140 Pa (1.05 mm Hg)
 Log Koa (Koawin est ): 4.420
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 2.14E-008 
 Octanol/air (Koa) model: 6.46E-009 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 7.74E-007 
 Mackay model : 1.71E-006 
 Octanol/air (Koa) model: 5.17E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.1968 E-12 cm3/molecule-sec
 Half-Life = 8.937 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 107.246 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.24E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.796E+004
 Log Koc: 4.254 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 3.227 (BCF = 1687)
 log Kow used: 5.10 (expkow database)

 Volatilization from Water:
 Henry LC: 0.117 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 1.766 hours
 Half-Life from Model Lake : 163.7 hours (6.82 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 98.55 percent
 Total biodegradation: 0.19 percent
 Total sludge adsorption: 52.15 percent
 Total to Air: 46.21 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 6.8 254 1000 
 Water 9.78 900 1000 
 Soil 55.7 1.8e+003 1000 
 Sediment 27.7 8.1e+003 0 
 Persistence Time: 780 hr