ethyl oxirane C4H8O 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) = 0.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 57.35 (Adapted Stein & Brown method)
 Melting Pt (deg C): -86.99 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 185 (Mean VP of Antoine & Grain methods)
 MP (exp database): -150 deg C
 BP (exp database): 63.3 deg C
 VP (exp database): 1.80E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 2.465e+004
 log Kow used: 0.86 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 9.5e+004 mg/L (25 deg C)
 Exper. Ref: BOGYO,DA ET AL. (1980)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 46148 mg/L
 Wat Sol (Exper. database match) = 95000.00
 Exper. Ref: BOGYO,DA ET AL. (1980)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.12E-004 atm-m3/mole
 Group Method: 1.73E-004 atm-m3/mole
 Exper Database: 1.80E-04 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 7.121E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.86 (KowWin est)
 Log Kaw used: -2.133 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 2.993
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.3659
 Biowin2 (Non-Linear Model) : 0.1908
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0312 (weeks )
 Biowin4 (Primary Survey Model) : 3.7340 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.5811
 Biowin6 (MITI Non-Linear Model): 0.7095
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.4447
 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): 2.4E+004 Pa (180 mm Hg)
 Log Koa (Koawin est ): 2.993
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.25E-010 
 Octanol/air (Koa) model: 2.42E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 4.51E-009 
 Mackay model : 1E-008 
 Octanol/air (Koa) model: 1.93E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.8143 E-12 cm3/molecule-sec
 Half-Life = 5.895 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 70.743 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 7.26E-009 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 4.491
 Log Koc: 0.652 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Ka (acid-catalyzed) at 25 deg C : 7.206E-002 L/mol-sec
 Ka Half-Life at pH 7: 3.048 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.500 (BCF = 3.162)
 log Kow used: 0.86 (estimated)

 Volatilization from Water:
 Henry LC: 0.00018 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 3.629 hours
 Half-Life from Model Lake : 110.8 hours (4.616 days)

 Removal In Wastewater Treatment:
 Total removal: 9.83 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.66 percent
 Total to Air: 8.08 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 17.5 134 1000 
 Water 43.8 360 1000 
 Soil 38.6 720 1000 
 Sediment 0.0856 3.24e+003 0 
 Persistence Time: 232 hr