1-Butene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.17
    Log Kow (Exper. database match) =  2.40
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  17.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -121.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.86E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -145 deg C
    BP  (exp database):  -1.3 deg C
    VP  (exp database):  2.25E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  354.8
       log Kow used: 2.40 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  221 mg/L (25 deg C)
        Exper. Ref:  MCAULIFFE,C (1966)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  278 mg/L
    Wat Sol (Exper. database match) =  221.00
       Exper. Ref:  MCAULIFFE,C (1966)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.03E-001  atm-m3/mole
   Group Method:   2.68E-001  atm-m3/mole
   Exper Database: 2.33E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.581E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.40  (exp database)
  Log Kaw used:  0.979  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.421
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8293
   Biowin2 (Non-Linear Model)     :   0.9830
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3735  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0359  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6136
   Biowin6 (MITI Non-Linear Model):   0.8085
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2442
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4394
     BioHC Half-Life (days)     :   2.7502

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3E+005 Pa (2.25E+003 mm Hg)
  Log Koa (Koawin est  ): 1.421
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1E-011 
       Octanol/air (Koa) model:  6.47E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.61E-010 
       Mackay model           :  8E-010 
       Octanol/air (Koa) model:  5.18E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.4013 E-12 cm3/molecule-sec
      Half-Life =     0.390 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.684 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 5.81E-010 (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 = 1.148 (BCF = 14.06)
       log Kow used: 2.40 (expkow database)

 Volatilization from Water:
    Henry LC:  0.233 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.7663  hours   (45.98 min)
    Half-Life from Model Lake :      71.17  hours   (2.965 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.91  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.85  percent
    Total to Air:               98.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       11.2            6.16         1000       
   Water     85.5            208          1000       
   Soil      2.85            416          1000       
   Sediment  0.439           1.87e+003    0          
     Persistence Time: 57.1 hr