Hept-1-ene

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) =  3.64
    Log Kow (Exper. database match) =  3.99
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  94.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -82.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  56  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -119.7 deg C
    BP  (exp database):  93.6 deg C
    VP  (exp database):  5.93E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  13.45
       log Kow used: 3.99 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  18.2 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.913 mg/L
    Wat Sol (Exper. database match) =  18.20
       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 :   4.76E-001  atm-m3/mole
   Group Method:   7.56E-001  atm-m3/mole
   Exper Database: 4.21E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.379E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.99  (exp database)
  Log Kaw used:  1.236  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.754
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8092
   Biowin2 (Non-Linear Model)     :   0.9695
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2805  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9751  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6367
   Biowin6 (MITI Non-Linear Model):   0.8197
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3222
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6386
     BioHC Half-Life (days)     :   4.3508

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.91E+003 Pa (59.3 mm Hg)
  Log Koa (Koawin est  ): 2.754
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.79E-010 
       Octanol/air (Koa) model:  1.39E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.37E-008 
       Mackay model           :  3.04E-008 
       Octanol/air (Koa) model:  1.11E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.5910 E-12 cm3/molecule-sec
      Half-Life =     0.339 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.063 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): 2.2E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  274.7
      Log Koc:  2.439 

 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 = 2.372 (BCF = 235.7)
       log Kow used: 3.99 (expkow database)

 Volatilization from Water:
    Henry LC:  0.421 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.013  hours
    Half-Life from Model Lake :      94.13  hours   (3.922 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.47  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    16.96  percent
    Total to Air:               82.44  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.21            4.53         1000       
   Water     65              208          1000       
   Soil      23.6            416          1000       
   Sediment  5.2             1.87e+003    0          
     Persistence Time: 74.9 hr