Crotyl chloride

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) =  2.34

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  95.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -85.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  70.8  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  85 deg C
    VP  (exp database):  6.90E+01 mm Hg at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1234
       log Kow used: 2.34 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1000 mg/L ( deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2145 mg/L
    Wat Sol (Exper. database match) =  1000.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.34E-002  atm-m3/mole
   Group Method:   9.09E-003  atm-m3/mole
   Exper Database: 8.22E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.836E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.34  (KowWin est)
  Log Kaw used:  -0.474  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.814
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7015
   Biowin2 (Non-Linear Model)     :   0.8473
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1242  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8856  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5060
   Biowin6 (MITI Non-Linear Model):   0.4448
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3031
 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):  9.2E+003 Pa (69 mm Hg)
  Log Koa (Koawin est  ): 2.814
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.26E-010 
       Octanol/air (Koa) model:  1.6E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.18E-008 
       Mackay model           :  2.61E-008 
       Octanol/air (Koa) model:  1.28E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.3549 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  49.1309 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.960 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.612 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.511875 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.023750 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.239 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.119 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 1.89E-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 = 1.105 (BCF = 12.75)
       log Kow used: 2.34 (estimated)

 Volatilization from Water:
    Henry LC:  0.00822 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.039  hours
    Half-Life from Model Lake :      91.12  hours   (3.797 days)

 Removal In Wastewater Treatment:
    Total removal:              76.53  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.20  percent
    Total to Air:               75.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.17            5.33         1000       
   Water     68.2            360          1000       
   Soil      25.2            720          1000       
   Sediment  0.372           3.24e+003    0          
     Persistence Time: 91.9 hr