Heptanal

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) =  2.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  154.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -42.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.52  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -43.3 deg C
    BP  (exp database):  152.8 deg C
    VP  (exp database):  3.52E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1167
       log Kow used: 2.29 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1250 mg/L (25 deg C)
        Exper. Ref:  SUZUKI,T (1991)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2551.3 mg/L
    Wat Sol (Exper. database match) =  1250.00
       Exper. Ref:  SUZUKI,T (1991)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.80E-004  atm-m3/mole
   Group Method:   3.38E-004  atm-m3/mole
   Exper Database: 2.70E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.532E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.29  (KowWin est)
  Log Kaw used:  -1.957  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.247
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0862
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2675  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1487  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0313
   Biowin6 (MITI Non-Linear Model):   0.9843
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6913
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  469 Pa (3.52 mm Hg)
  Log Koa (Koawin est  ): 4.247
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.39E-009 
       Octanol/air (Koa) model:  4.34E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.31E-007 
       Mackay model           :  5.11E-007 
       Octanol/air (Koa) model:  3.47E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.2442 E-12 cm3/molecule-sec
      Half-Life =     0.354 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.244 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.71E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  31.97
      Log Koc:  1.505 

 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 = 1.063 (BCF = 11.56)
       log Kow used: 2.29 (estimated)

 Volatilization from Water:
    Henry LC:  0.00027 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      3.408  hours
    Half-Life from Model Lake :      126.8  hours   (5.282 days)

 Removal In Wastewater Treatment:
    Total removal:              13.55  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.31  percent
    Total to Air:               11.15  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.5             8.49         1000       
   Water     29.2            208          1000       
   Soil      68.2            416          1000       
   Sediment  0.13            1.87e+003    0          
     Persistence Time: 213 hr