CAS Num: 000138-22-7
SMILES : O=C(OCCCC)C(O)C
CHEM   : Propanoic acid, 2-hydroxy-, butyl ester
MOL FOR: C7 H14 O3 
MOL WT : 146.19
------------------------------ 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) =  0.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  207.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.17  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  22.7  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -28 deg C
    BP  (exp database):  186 deg C
    VP  (exp database):  4.00E-01 mm Hg (5.33E+001 Pa) at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.298e+004
       log Kow used: 0.80 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4e+004 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  64416 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.49E-005  atm-m3/mole  (8.61E+000 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.92E-06  atm-m3/mole  (1.95E-001 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:  6.172E-007 atm-m3/mole  (6.254E-002 Pa-m3/mole)
      VP:   0.17 mm Hg (source: MPBPVP)
      WS:   5.3E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.80  (KowWin est)
  Log Kaw used:  -4.105  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.905
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1193
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4746  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2643  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8805
   Biowin6 (MITI Non-Linear Model):   0.9518
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5759
 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):  53.3 Pa (0.4 mm Hg)
  Log Koa (Koawin est  ): 4.905
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.62E-008 
       Octanol/air (Koa) model:  1.97E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.03E-006 
       Mackay model           :  4.5E-006 
       Octanol/air (Koa) model:  1.58E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.9794 E-12 cm3/molecule-sec
      Half-Life =     1.532 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.390 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.27E-006 (Junge-Pankow, Mackay avg)
      1.58E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  7.773  L/kg (Kow method)
      Log Koc:  0.891       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.482E-001  L/mol-sec
  Kb Half-Life at pH 8:       8.460  days   
  Kb Half-Life at pH 7:      84.602  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.0827 days (HL = 0.008265 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.022 (BCF = 1.053)
   Log BAF Arnot-Gobas method (upper trophic) = 0.022 (BAF = 1.053)
       log Kow used: 0.80 (estimated)

 Volatilization from Water:
    Henry LC:  1.92E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      369.9  hours   (15.41 days)
    Half-Life from Model Lake :       4137  hours   (172.4 days)

 Removal In Wastewater Treatment:
    Total removal:               1.98  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  percent
    Total to Air:                0.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.36            36.8         1000       
   Water     36.2            208          1000       
   Soil      59.4            416          1000       
   Sediment  0.0761          1.87e+003    0          
     Persistence Time: 262 hr