1-Bromo-1-propene C3H5Br 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) = 1.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 85.19 (Adapted Stein & Brown method)
 Melting Pt (deg C): -79.40 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 78.6 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 2208
 log Kow used: 1.94 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 7274.2 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.93E-002 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 5.667E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.94 (KowWin est)
 Log Kaw used: -0.103 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 2.043
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6438
 Biowin2 (Non-Linear Model) : 0.0410
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.9608 (weeks )
 Biowin4 (Primary Survey Model) : 3.7086 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4618
 Biowin6 (MITI Non-Linear Model): 0.1905
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.9685
 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): 1.01E+004 Pa (75.8 mm Hg)
 Log Koa (Koawin est ): 2.043
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 2.97E-010 
 Octanol/air (Koa) model: 2.71E-011 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.07E-008 
 Mackay model : 2.37E-008 
 Octanol/air (Koa) model: 2.17E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 14.8000 E-12 cm3/molecule-sec [Cis-isomer]
 OVERALL OH Rate Constant = 16.7760 E-12 cm3/molecule-sec [Trans-isomer]
 Half-Life = 8.672 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
 Half-Life = 7.651 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 0.079625 E-17 cm3/molecule-sec [Cis-]
 OVERALL Ozone Rate Constant = 0.159250 E-17 cm3/molecule-sec [Trans-]
 Half-Life = 14.392 Days (at 7E11 mol/cm3) [Cis-isomer]
 Half-Life = 7.196 Days (at 7E11 mol/cm3) [Trans-isomer]
 Fraction sorbed to airborne particulates (phi): 1.72E-008 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 43.79
 Log Koc: 1.641 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.791 (BCF = 6.185)
 log Kow used: 1.94 (estimated)

 Volatilization from Water:
 Henry LC: 0.0193 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.156 hours
 Half-Life from Model Lake : 104.8 hours (4.368 days)

 Removal In Wastewater Treatment:
 Total removal: 88.29 percent
 Total biodegradation: 0.03 percent
 Total sludge adsorption: 0.65 percent
 Total to Air: 87.61 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 18.8 16.5 1000 
 Water 74.4 360 1000 
 Soil 6.56 720 1000 
 Sediment 0.247 3.24e+003 0 
 Persistence Time: 83.3 hr