3-thiaheptane

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) =  2.88

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  139.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -56.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.22  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -95.1 deg C
    BP  (exp database):  144.3 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  351.1
       log Kow used: 2.88 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  270.46 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.44E-003  atm-m3/mole
   Group Method:   4.15E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.313E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.88  (KowWin est)
  Log Kaw used:  -1.001  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.881
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7997
   Biowin2 (Non-Linear Model)     :   0.9598
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2362  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9462  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5589
   Biowin6 (MITI Non-Linear Model):   0.7046
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4632
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6280
     BioHC Half-Life (days)     :   4.2462

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  639 Pa (4.79 mm Hg)
  Log Koa (Koawin est  ): 3.881
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.7E-009 
       Octanol/air (Koa) model:  1.87E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.7E-007 
       Mackay model           :  3.76E-007 
       Octanol/air (Koa) model:  1.49E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.8424 E-12 cm3/molecule-sec
      Half-Life =     0.513 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.158 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 2.73E-007 (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 = 1.520 (BCF = 33.14)
       log Kow used: 2.88 (estimated)

 Volatilization from Water:
    Henry LC:  0.00415 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.263  hours
    Half-Life from Model Lake :        105  hours   (4.373 days)

 Removal In Wastewater Treatment:
    Total removal:              63.19  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     3.01  percent
    Total to Air:               60.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.95            12.3         1000       
   Water     35.3            360          1000       
   Soil      58.3            720          1000       
   Sediment  0.473           3.24e+003    0          
     Persistence Time: 181 hr