Dimethylaminoethyl methacrylate C8H15NO2 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) = 1.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 170.51 (Adapted Stein & Brown method)
 Melting Pt (deg C): -31.63 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 1.52 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.161e+004
 log Kow used: 1.45 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 2.1315e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Aliphatic Amines
 Methacrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.90E-006 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 7.556E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.45 (KowWin est)
 Log Kaw used: -4.110 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.560
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6416
 Biowin2 (Non-Linear Model) : 0.9329
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.7372 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.5619 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4667
 Biowin6 (MITI Non-Linear Model): 0.4082
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): -0.6981
 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): 185 Pa (1.39 mm Hg)
 Log Koa (Koawin est ): 5.560
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.62E-008 
 Octanol/air (Koa) model: 8.91E-008 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 5.85E-007 
 Mackay model : 1.29E-006 
 Octanol/air (Koa) model: 7.13E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 115.6901 E-12 cm3/molecule-sec
 Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 1.109 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
 Half-Life = 1.007 Days (at 7E11 mol/cm3)
 Half-Life = 24.179 Hrs
 Fraction sorbed to airborne particulates (phi): 9.4E-007 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 37.37
 Log Koc: 1.573 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 2.415E-003 L/mol-sec
 Kb Half-Life at pH 8: 9.093 years 
 Kb Half-Life at pH 7: 90.927 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.415 (BCF = 2.601)
 log Kow used: 1.45 (estimated)

 Volatilization from Water:
 Henry LC: 1.9E-006 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 387.6 hours (16.15 days)
 Half-Life from Model Lake : 4334 hours (180.6 days)

 Removal In Wastewater Treatment:
 Total removal: 2.07 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.86 percent
 Total to Air: 0.11 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.165 2.03 1000 
 Water 42.8 900 1000 
 Soil 56.9 1.8e+003 1000 
 Sediment 0.105 8.1e+003 0 
 Persistence Time: 643 hr