CAS Num: 050980-84-2
SMILES : O=C(OCC(OC(=O)CCC)C)CCC
CHEM   : 1,2-Propanediol, dibutanoate
MOL FOR: C11 H20 O4 
MOL WT : 216.28
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.79

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  233.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0651  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  8.69  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  150.2
       log Kow used: 2.79 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  361.66 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.29E-006  atm-m3/mole  (2.32E-001 Pa-m3/mole)
   Group Method:   5.48E-007  atm-m3/mole  (5.55E-002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.233E-004 atm-m3/mole  (1.250E+001 Pa-m3/mole)
      VP:   0.0651 mm Hg (source: MPBPVP)
      WS:   150 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.79  (KowWin est)
  Log Kaw used:  -4.029  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.819
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9929
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0016  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9936  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9538
   Biowin6 (MITI Non-Linear Model):   0.9637
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9052
 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):  8.24 Pa (0.0618 mm Hg)
  Log Koa (Koawin est  ): 6.819
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.64E-007 
       Octanol/air (Koa) model:  1.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.32E-005 
       Mackay model           :  2.91E-005 
       Octanol/air (Koa) model:  0.000129 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.1678 E-12 cm3/molecule-sec
      Half-Life =     1.167 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.000 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.11E-005 (Junge-Pankow, Mackay avg)
      0.000129 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  50.69  L/kg (MCI method)
      Log Koc:  1.705       (MCI method)
      Koc    :  217.3  L/kg (Kow method)
      Log Koc:  2.337       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.836E-001  L/mol-sec
  Kb Half-Life at pH 8:      43.696  days   
  Kb Half-Life at pH 7:       1.196  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.506 (BCF = 32.04 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.0912 days (HL = 0.008106 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.615 (BCF = 4.125)
   Log BAF Arnot-Gobas method (upper trophic) = 0.615 (BAF = 4.125)
       log Kow used: 2.79 (estimated)

 Volatilization from Water:
    Henry LC:  5.48E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1573  hours   (65.53 days)
    Half-Life from Model Lake : 1.728E+004  hours   (720 days)

 Removal In Wastewater Treatment:
    Total removal:               4.28  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.14  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.85            28           1000       
   Water     29              360          1000       
   Soil      69              720          1000       
   Sediment  0.114           3.24e+003    0          
     Persistence Time: 464 hr