2-Ethylhexyl acrylate C11H20O2 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) = 4.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 216.92 (Adapted Stein & Brown method)
 Melting Pt (deg C): -10.43 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.183 (Mean VP of Antoine & Grain methods)
 MP (exp database): -90 deg C
 BP (exp database): 213.5 deg C
 VP (exp database): 1.78E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 16.8
 log Kow used: 4.09 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 100 mg/L (25 deg C)
 Exper. Ref: CHEM INSPECT TEST INST (1992)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 24.593 mg/L
 Wat Sol (Exper. database match) = 100.00
 Exper. Ref: CHEM INSPECT TEST INST (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 6.72E-004 atm-m3/mole
 Group Method: 6.00E-004 atm-m3/mole
 Exper Database: 4.32E-04 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 2.641E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 4.09 (KowWin est)
 Log Kaw used: -1.753 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 5.843
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.9424
 Biowin2 (Non-Linear Model) : 0.9982
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.2305 (weeks )
 Biowin4 (Primary Survey Model) : 4.0799 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.7234
 Biowin6 (MITI Non-Linear Model): 0.8610
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.2746
 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): 23.7 Pa (0.178 mm Hg)
 Log Koa (Koawin est ): 5.843
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.26E-007 
 Octanol/air (Koa) model: 1.71E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 4.57E-006 
 Mackay model : 1.01E-005 
 Octanol/air (Koa) model: 1.37E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 20.1115 E-12 cm3/molecule-sec
 Half-Life = 0.532 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 6.382 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
 Half-Life = 6.549 Days (at 7E11 mol/cm3)
 Fraction sorbed to airborne particulates (phi): 7.34E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 429
 Log Koc: 2.632 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 1.330E-002 L/mol-sec
 Kb Half-Life at pH 8: 1.651 years 
 Kb Half-Life at pH 7: 16.512 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 2.451 (BCF = 282.4)
 log Kow used: 4.09 (estimated)

 Volatilization from Water:
 Henry LC: 0.000432 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 3.225 hours
 Half-Life from Model Lake : 149 hours (6.209 days)

 Removal In Wastewater Treatment:
 Total removal: 43.05 percent
 Total biodegradation: 0.32 percent
 Total sludge adsorption: 32.01 percent
 Total to Air: 10.73 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 1.53 11.8 1000 
 Water 17.1 360 1000 
 Soil 78.8 720 1000 
 Sediment 2.64 3.24e+003 0 
 Persistence Time: 432 hr