1,3-dichloropropene

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
    Log Kow (Exper. database match) =  2.06
       Exper. Ref:  Tomlin,C (1997)
    Log Kow (Exper. database match) =  2.03
       Exper. Ref:  Tomlin,C (1997)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  107.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -72.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  22.3  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -50 deg C
    BP  (exp database):  112 deg C
    VP  (exp database):  3.40E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1994
       log Kow used: 2.03 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2800 mg/L (20 deg C)
        Exper. Ref:  DILLING,WL (1977)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1426.6 mg/L
    Wat Sol (Exper. database match) =  2800.00
       Exper. Ref:  DILLING,WL (1977)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.45E-002  atm-m3/mole
   Group Method:   3.22E-003  atm-m3/mole
   Exper Database: 3.55E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.633E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.03  (exp database)
  Log Kaw used:  -1.448  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.478
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4719
   Biowin2 (Non-Linear Model)     :   0.0934
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6076  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4864  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4460
   Biowin6 (MITI Non-Linear Model):   0.1870
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6857
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.53E+003 Pa (34 mm Hg)
  Log Koa (Koawin est  ): 3.478
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.62E-010 
       Octanol/air (Koa) model:  7.38E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.39E-008 
       Mackay model           :  5.29E-008 
       Octanol/air (Koa) model:  5.9E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.3564 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  10.5693 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.143 Days (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.012 Days (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.011261 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.022523 E-17 cm3/molecule-sec [Trans-]
      Half-Life =   101.765 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    50.882 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 3.84E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  80.77
      Log Koc:  1.907 

 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 = 0.863 (BCF = 7.296)
       log Kow used: 2.03 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00355 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.249  hours
    Half-Life from Model Lake :        102  hours   (4.248 days)

 Removal In Wastewater Treatment:
    Total removal:              59.06  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     1.20  percent
    Total to Air:               57.80  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       13.1            17.6         1000       
   Water     63.5            900          1000       
   Soil      23.2            1.8e+003     1000       
   Sediment  0.254           8.1e+003     0          
     Persistence Time: 130 hr