CAS Num: 079915-74-5
SMILES : Oc1ccccc1C(=O)OCCOC(C)C
CHEM   : Benzoic acid, 2-hydroxy-, 2-(1-methylethoxy)ethyl ester
MOL FOR: C12 H16 O4 
MOL WT : 224.26
------------------------------ 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) =  3.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  320.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  95.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.17E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00556  (Modified Grain method)
    Subcooled liquid VP: 0.000201 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0268 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  213.3
       log Kow used: 3.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1405 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.25E-007  atm-m3/mole  (1.26E-002 Pa-m3/mole)
   Group Method:   1.51E-011  atm-m3/mole  (1.53E-006 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:  5.769E-008 atm-m3/mole  (5.845E-003 Pa-m3/mole)
      VP:   4.17E-005 mm Hg (source: MPBPVP)
      WS:   213 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.24  (KowWin est)
  Log Kaw used:  -5.292  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.532
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5834
   Biowin2 (Non-Linear Model)     :   0.7995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8915  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7831  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5363
   Biowin6 (MITI Non-Linear Model):   0.5393
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1767
 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):  0.0268 Pa (0.000201 mm Hg)
  Log Koa (Koawin est  ): 8.532
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000112 
       Octanol/air (Koa) model:  8.36E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00403 
       Mackay model           :  0.00888 
       Octanol/air (Koa) model:  0.00664 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.9281 E-12 cm3/molecule-sec
      Half-Life =     0.335 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.020 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00645 (Junge-Pankow, Mackay avg)
      0.00664 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  200.1  L/kg (MCI method)
      Log Koc:  2.301       (MCI method)
      Koc    :  534.4  L/kg (Kow method)
      Log Koc:  2.728       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  8.224E-002  L/mol-sec
  Kb Half-Life at pH 8:      97.540  days   
  Kb Half-Life at pH 7:       2.670  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.803 (BCF = 63.59 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3884 days (HL = 0.04089 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.206 (BCF = 16.07)
   Log BAF Arnot-Gobas method (upper trophic) = 1.206 (BAF = 16.07)
       log Kow used: 3.24 (estimated)

 Volatilization from Water:
    Henry LC:  1.25E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       7016  hours   (292.3 days)
    Half-Life from Model Lake : 7.666E+004  hours   (3194 days)

 Removal In Wastewater Treatment:
    Total removal:               8.34  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.19  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.564           8.04         1000       
   Water     24.2            360          1000       
   Soil      75              720          1000       
   Sediment  0.231           3.24e+003    0          
     Persistence Time: 507 hr