butenylbenzene

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) =  3.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  196.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -24.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.385  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -43.1 deg C
    BP  (exp database):  198.7 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  51.38
       log Kow used: 3.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  36.619 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.75E-003  atm-m3/mole
   Group Method:   4.66E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.304E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.80  (KowWin est)
  Log Kaw used:  -0.629  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.429
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9211
   Biowin2 (Non-Linear Model)     :   0.9916
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2274  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9310  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4221
   Biowin6 (MITI Non-Linear Model):   0.4540
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0588
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5720
     BioHC Half-Life (days)     :   3.7323

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  46.9 Pa (0.352 mm Hg)
  Log Koa (Koawin est  ): 4.429
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.39E-008 
       Octanol/air (Koa) model:  6.59E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.31E-006 
       Mackay model           :  5.11E-006 
       Octanol/air (Koa) model:  5.27E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  59.3344 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  66.9344 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.163 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.918 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 3.71E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1761
      Log Koc:  3.246 

 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 = 2.225 (BCF = 167.9)
       log Kow used: 3.80 (estimated)

 Volatilization from Water:
    Henry LC:  0.00466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.318  hours
    Half-Life from Model Lake :      110.8  hours   (4.616 days)

 Removal In Wastewater Treatment:
    Total removal:              69.75  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:    15.76  percent
    Total to Air:               53.87  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.495           2.09         1000       
   Water     19              360          1000       
   Soil      79              720          1000       
   Sediment  1.57            3.24e+003    0          
     Persistence Time: 332 hr