prenyl

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) =  2.59

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  28.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -120.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  902  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -168.5 deg C
    BP  (exp database):  20.1 deg C
    VP  (exp database):  9.03E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  242.7
       log Kow used: 2.59 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  130 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  169.11 mg/L
    Wat Sol (Exper. database match) =  130.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.70E-001  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 5.40E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.890E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.59  (KowWin est)
  Log Kaw used:  1.344  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.246
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7142
   Biowin2 (Non-Linear Model)     :   0.8821
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0442  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7465  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4722
   Biowin6 (MITI Non-Linear Model):   0.6284
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2905
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5671
     BioHC Half-Life (days)     :   3.6904

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.2E+005 Pa (903 mm Hg)
  Log Koa (Koawin est  ): 1.246
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.49E-011 
       Octanol/air (Koa) model:  4.33E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9E-010 
       Mackay model           :  1.99E-009 
       Octanol/air (Koa) model:  3.46E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.5746 E-12 cm3/molecule-sec
      Half-Life =     0.374 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.492 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): 1.45E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  67.7
      Log Koc:  1.831 

 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 = 1.292 (BCF = 19.59)
       log Kow used: 2.59 (estimated)

 Volatilization from Water:
    Henry LC:  0.54 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.8555  hours   (51.33 min)
    Half-Life from Model Lake :      79.56  hours   (3.315 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.53  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.16  percent
    Total to Air:               98.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.76            6.31         1000       
   Water     87.7            360          1000       
   Soil      1.84            720          1000       
   Sediment  0.708           3.24e+003    0          
     Persistence Time: 70.1 hr