1-Dodecyne

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) =  5.46

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  212.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  4.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.252  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -19 deg C
    BP  (exp database):  215 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.4016
       log Kow used: 5.46 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.56212 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.06E-001  atm-m3/mole
   Group Method:   3.46E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.373E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.46  (KowWin est)
  Log Kaw used:  0.925  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.535
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7768
   Biowin2 (Non-Linear Model)     :   0.9235
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1300  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8769  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6625
   Biowin6 (MITI Non-Linear Model):   0.8333
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6727
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.9905
     BioHC Half-Life (days)     :   9.7834

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  31.2 Pa (0.234 mm Hg)
  Log Koa (Koawin est  ): 4.535
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.62E-008 
       Octanol/air (Koa) model:  8.41E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.47E-006 
       Mackay model           :  7.69E-006 
       Octanol/air (Koa) model:  6.73E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.3563 E-12 cm3/molecule-sec
      Half-Life =     0.553 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.631 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): 5.58E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5864
      Log Koc:  3.768 

 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 = 2.507 (BCF = 321)
       log Kow used: 5.46 (estimated)

 Volatilization from Water:
    Henry LC:  0.346 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.318  hours
    Half-Life from Model Lake :      122.5  hours   (5.105 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.39  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    56.68  percent
    Total to Air:               42.52  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.95            13.2         1000       
   Water     12.5            360          1000       
   Soil      48.9            720          1000       
   Sediment  36.7            3.24e+003    0          
     Persistence Time: 468 hr