Decamethylcyclopentasiloxane C10H30O5Si5 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) = 5.71
 Log Kow (Exper. database match) = 5.20
 Exper. Ref: Bruggeman,WA et al. (1984)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 196.78 (Adapted Stein & Brown method)
 Melting Pt (deg C): -5.19 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.218 (Mean VP of Antoine & Grain methods)
 MP (exp database): -38 deg C
 BP (exp database): 210 deg C
 VP (exp database): 2.00E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 0.04646
 log Kow used: 5.20 (expkow database)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 0.019303 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.20E-001 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 4.00E-01 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 2.289E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 5.20 (exp database)
 Log Kaw used: 1.214 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 3.986
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.5710
 Biowin2 (Non-Linear Model) : 0.0948
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.3798 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.3128 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : -0.3868
 Biowin6 (MITI Non-Linear Model): 0.0003
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.0404
 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): 26.7 Pa (0.2 mm Hg)
 Log Koa (Koawin est ): 3.986
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.12E-007 
 Octanol/air (Koa) model: 2.38E-009 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 4.06E-006 
 Mackay model : 9E-006 
 Octanol/air (Koa) model: 1.9E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.4960 E-12 cm3/molecule-sec
 Half-Life = 7.150 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 85.797 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 6.53E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.452E+005
 Log Koc: 5.162 

 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 = 3.304 (BCF = 2014)
 log Kow used: 5.20 (expkow database)

 Volatilization from Water:
 Henry LC: 0.4 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 1.968 hours
 Half-Life from Model Lake : 182.9 hours (7.622 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 99.54 percent
 Total biodegradation: 0.17 percent
 Total sludge adsorption: 52.52 percent
 Total to Air: 46.85 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 8.4 166 1000 
 Water 12.1 900 1000 
 Soil 37.3 1.8e+003 1000 
 Sediment 42.3 8.1e+003 0 
 Persistence Time: 628 hr