4-Hydroxyphenyl methacrylate C10H10O3 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) = 2.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 279.67 (Adapted Stein & Brown method)
 Melting Pt (deg C): 64.44 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.000896 (Modified Grain method)
 Subcooled liquid VP: 0.00209 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4090
 log Kow used: 2.01 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 13981 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 5.57E-009 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 5.136E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 2.01 (KowWin est)
 Log Kaw used: -6.643 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 8.653
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.9527
 Biowin2 (Non-Linear Model) : 0.9958
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0020 (weeks )
 Biowin4 (Primary Survey Model) : 3.8593 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.6357
 Biowin6 (MITI Non-Linear Model): 0.7054
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.4803
 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): 0.279 Pa (0.00209 mm Hg)
 Log Koa (Koawin est ): 8.653
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.08E-005 
 Octanol/air (Koa) model: 0.00011 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000389 
 Mackay model : 0.000861 
 Octanol/air (Koa) model: 0.00876 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 42.7454 E-12 cm3/molecule-sec
 Half-Life = 0.250 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.003 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
 Reaction With Nitrate Radicals May Be Important!
 Fraction sorbed to airborne particulates (phi): 0.000625 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 358
 Log Koc: 2.554 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 1.163E-002 L/mol-sec
 Kb Half-Life at pH 8: 1.888 years 
 Kb Half-Life at pH 7: 18.880 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.849 (BCF = 7.062)
 log Kow used: 2.01 (estimated)

 Volatilization from Water:
 Henry LC: 5.57E-009 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.403E+005 hours (5846 days)
 Half-Life from Model Lake : 1.531E+006 hours (6.378E+004 days)

 Removal In Wastewater Treatment:
 Total removal: 2.25 percent
 Total biodegradation: 0.10 percent
 Total sludge adsorption: 2.16 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 0.0882 4.81 1000 
 Water 24.2 360 1000 
 Soil 75.6 720 1000 
 Sediment 0.0863 3.24e+003 0 
 Persistence Time: 636 hr