CAS Number: 109-61-5
SMILES : O=C(OCCC)CL
CHEM   : Carbonochloridic acid, propyl ester
MOL FOR: C4 H7 CL1 O2 
MOL WT : 122.55
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  1.12
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  114.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -56.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  19.3  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.58E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  115.2 deg C
    VP  (exp database):  2.00E+01 mm Hg (2.67E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.089e+004
       log Kow used: 1.12 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17013 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acid Halides
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.15E-003  atm-m3/mole  (4.20E+002 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.858E-004 atm-m3/mole  (2.896E+001 Pa-m3/mole)
      VP:   19.3 mm Hg (source: MPBPVP)
      WS:   1.09E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.12  (KowWin est)
  Log Kaw used:  -0.770  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.890
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6892
   Biowin2 (Non-Linear Model)     :   0.7805
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9283  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6709  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4468
   Biowin6 (MITI Non-Linear Model):   0.4666
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8085
 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):  2.67E+003 Pa (20 mm Hg)
  Log Koa (Koawin est  ): 1.890
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.12E-009 
       Octanol/air (Koa) model:  1.91E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.06E-008 
       Mackay model           :  9E-008 
       Octanol/air (Koa) model:  1.52E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.1542 E-12 cm3/molecule-sec
      Half-Life =     3.391 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    40.692 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.53E-008 (Junge-Pankow, Mackay avg)
      1.52E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.01  L/kg (MCI method)
      Log Koc:  0.700       (MCI method)
      Koc    :  20.67  L/kg (Kow method)
      Log Koc:  1.315       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.405 (BCF = 2.54 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2142 days (HL = 0.06107 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.268 (BCF = 1.853)
   Log BAF Arnot-Gobas method (upper trophic) = 0.268 (BAF = 1.853)
       log Kow used: 1.12 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00415 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.286  hours
    Half-Life from Model Lake :      106.9  hours   (4.452 days)
 
 Removal In Wastewater Treatment:
    Total removal:              62.54  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     0.86  percent
    Total to Air:               61.63  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       37.3            81.4         1000       
   Water     55.2            360          1000       
   Soil      7.39            720          1000       
   Sediment  0.113           3.24e+003    0          
     Persistence Time: 116 hr