Isopentyne

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) =  1.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  39.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -92.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  726  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -89.7 deg C
    BP  (exp database):  26.3 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  850.2
       log Kow used: 1.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2216 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.83E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.654E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.95  (KowWin est)
  Log Kaw used:  0.063  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.887
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7151
   Biowin2 (Non-Linear Model)     :   0.8851
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0486  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7495  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4596
   Biowin6 (MITI Non-Linear Model):   0.6220
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5111
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5870
     BioHC Half-Life (days)     :   3.8635

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  9.68E+004 Pa (726 mm Hg)
  Log Koa (Koawin est  ): 1.887
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.1E-011 
       Octanol/air (Koa) model:  1.89E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.12E-009 
       Mackay model           :  2.48E-009 
       Octanol/air (Koa) model:  1.51E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.2746 E-12 cm3/molecule-sec
      Half-Life =     1.153 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.839 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 1.8E-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 = 0.803 (BCF = 6.352)
       log Kow used: 1.95 (estimated)

 Volatilization from Water:
    Henry LC:  0.0283 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.8593  hours   (51.56 min)
    Half-Life from Model Lake :      78.58  hours   (3.274 days)

 Removal In Wastewater Treatment:
    Total removal:              91.68  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.60  percent
    Total to Air:               91.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       26              27.6         1000       
   Water     69.3            360          1000       
   Soil      4.5             720          1000       
   Sediment  0.232           3.24e+003    0          
     Persistence Time: 89.3 hr