Glycerol triacrylate C12H14O6 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) = 1.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 284.90 (Adapted Stein & Brown method)
 Melting Pt (deg C): -9.38 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.00433 (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1354
 log Kow used: 1.43 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1773 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.57E-010 atm-m3/mole
 Group Method: 3.22E-012 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.070E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.43 (KowWin est)
 Log Kaw used: -7.979 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 9.409
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 1.1490
 Biowin2 (Non-Linear Model) : 1.0000
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0580 (weeks )
 Biowin4 (Primary Survey Model) : 4.1678 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 1.0908
 Biowin6 (MITI Non-Linear Model): 0.9718
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5761
 Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
 Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 0.577 Pa (0.00433 mm Hg)
 Log Koa (Koawin est ): 9.409
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.2E-006 
 Octanol/air (Koa) model: 0.00063 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000188 
 Mackay model : 0.000416 
 Octanol/air (Koa) model: 0.0479 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 35.9873 E-12 cm3/molecule-sec
 Half-Life = 0.297 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.567 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 0.525000 E-17 cm3/molecule-sec
 Half-Life = 2.183 Days (at 7E11 mol/cm3)
 Half-Life = 52.389 Hrs
 Fraction sorbed to airborne particulates (phi): 0.000302 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 346.7
 Log Koc: 2.540 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 1.246E-001 L/mol-sec
 Kb Half-Life at pH 8: 64.362 days 
 Kb Half-Life at pH 7: 1.762 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.399 (BCF = 2.505)
 log Kow used: 1.43 (estimated)

 Volatilization from Water:
 Henry LC: 3.22E-012 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 2.899E+008 hours (1.208E+007 days)
 Half-Life from Model Lake : 3.163E+009 hours (1.318E+008 days)

 Removal In Wastewater Treatment:
 Total removal: 1.95 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.86 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 6.82e-005 6.28 1000 
 Water 30 360 1000 
 Soil 69.9 720 1000 
 Sediment 0.0689 3.24e+003 0 
 Persistence Time: 645 hr