CAS Num: 025265-77-4
SMILES : O=C(OCC(C(C(C)C)O)(C)C)C(C)C
CHEM   : Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentane
         diol
MOL FOR: C12 H24 O3 
MOL WT : 216.32
------------------------------ 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) =  3.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  258.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  24.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00478  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.638  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  244-247 deg C
    VP  (exp database):  1.00E-02 mm Hg (1.33E+000 Pa) at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  321.5
       log Kow used: 3.00 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1360.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.21E-008  atm-m3/mole  (8.32E-003 Pa-m3/mole)
   Group Method:   1.07E-007  atm-m3/mole  (1.08E-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:  4.232E-006 atm-m3/mole  (4.288E-001 Pa-m3/mole)
      VP:   0.00478 mm Hg (source: MPBPVP)
      WS:   322 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.00  (KowWin est)
  Log Kaw used:  -5.474  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.474
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7935
   Biowin2 (Non-Linear Model)     :   0.9680
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8092  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7406  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5409
   Biowin6 (MITI Non-Linear Model):   0.5931
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1425
 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):  1.33 Pa (0.01 mm Hg)
  Log Koa (Koawin est  ): 8.474
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.25E-006 
       Octanol/air (Koa) model:  7.31E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.13E-005 
       Mackay model           :  0.00018 
       Octanol/air (Koa) model:  0.00582 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.2420 E-12 cm3/molecule-sec
      Half-Life =     0.659 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.902 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000131 (Junge-Pankow, Mackay avg)
      0.00582 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  29.37  L/kg (MCI method)
      Log Koc:  1.468       (MCI method)
      Koc    :  128.1  L/kg (Kow method)
      Log Koc:  2.107       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.446E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.519  years  
  Kb Half-Life at pH 7:      15.191  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.644 (BCF = 44.07 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3702 days (HL = 0.04264 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.182 (BCF = 15.22)
   Log BAF Arnot-Gobas method (upper trophic) = 1.182 (BAF = 15.22)
       log Kow used: 3.00 (estimated)

 Volatilization from Water:
    Henry LC:  1.07E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       8049  hours   (335.4 days)
    Half-Life from Model Lake : 8.793E+004  hours   (3664 days)

 Removal In Wastewater Treatment:
    Total removal:               5.70  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.57  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       0.883           15.8         1000       
   Water     29.6            360          1000       
   Soil      69.4            720          1000       
   Sediment  0.0906          3.24e+003    0          
     Persistence Time: 497 hr