CAS Number: 625-16-1
SMILES : O=C(OC(C)(C)CC)C
CHEM   : 2-BUTANOL, 2-METHYL-, ACETATE
MOL FOR: C7 H14 O2 
MOL WT : 130.19
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  2.23
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  125.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -49.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  12.1  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.61E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1152
       log Kow used: 2.23 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3468 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.45E-004  atm-m3/mole  (5.52E+001 Pa-m3/mole)
   Group Method:   4.77E-004  atm-m3/mole  (4.83E+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:  1.799E-003 atm-m3/mole  (1.823E+002 Pa-m3/mole)
      VP:   12.1 mm Hg (source: MPBPVP)
      WS:   1.15E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.23  (KowWin est)
  Log Kaw used:  -1.652  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.882
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6758
   Biowin2 (Non-Linear Model)     :   0.9711
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8396  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7354  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7872
   Biowin6 (MITI Non-Linear Model):   0.8928
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3814
 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):  1.49E+003 Pa (11.2 mm Hg)
  Log Koa (Koawin est  ): 3.882
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.01E-009 
       Octanol/air (Koa) model:  1.87E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.26E-008 
       Mackay model           :  1.61E-007 
       Octanol/air (Koa) model:  1.5E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.6928 E-12 cm3/molecule-sec
      Half-Life =     6.318 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    75.821 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.17E-007 (Junge-Pankow, Mackay avg)
      1.5E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  23.78  L/kg (MCI method)
      Log Koc:  1.376       (MCI method)
      Koc    :  123.9  L/kg (Kow method)
      Log Koc:  2.093       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.094E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.311  years  
  Kb Half-Life at pH 7:      43.111  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.136 (BCF = 13.68 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2410 days (HL = 0.05741 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.964 (BCF = 9.199)
   Log BAF Arnot-Gobas method (upper trophic) = 0.964 (BAF = 9.199)
       log Kow used: 2.23 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000477 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.565  hours
    Half-Life from Model Lake :      123.7  hours   (5.152 days)
 
 Removal In Wastewater Treatment:
    Total removal:              19.52  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     2.11  percent
    Total to Air:               17.32  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       20.9            152          1000       
   Water     36.3            360          1000       
   Soil      42.8            720          1000       
   Sediment  0.103           3.24e+003    0          
     Persistence Time: 222 hr