CAS Number: 84434-65-1
SMILES : CCCCCC(CC)OC=O
CHEM   : octan-3-yl formate
MOL FOR: C9 H18 O2 
MOL WT : 158.24
------------------------------ 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) =  3.19
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  180.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -23.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.95  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  127  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  131.5
       log Kow used: 3.19 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  147.28 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.74E-003  atm-m3/mole  (1.77E+002 Pa-m3/mole)
   Group Method:   3.62E-003  atm-m3/mole  (3.67E+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:  1.504E-003 atm-m3/mole  (1.524E+002 Pa-m3/mole)
      VP:   0.95 mm Hg (source: MPBPVP)
      WS:   132 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.19  (KowWin est)
  Log Kaw used:  -1.148  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.338
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9548
   Biowin2 (Non-Linear Model)     :   0.9988
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2880  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1175  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7823
   Biowin6 (MITI Non-Linear Model):   0.9234
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4952
 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):  115 Pa (0.863 mm Hg)
  Log Koa (Koawin est  ): 4.338
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.61E-008 
       Octanol/air (Koa) model:  5.35E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.42E-007 
       Mackay model           :  2.09E-006 
       Octanol/air (Koa) model:  4.28E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.5674 E-12 cm3/molecule-sec
      Half-Life =     0.925 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.096 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.51E-006 (Junge-Pankow, Mackay avg)
      4.28E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  123  L/kg (MCI method)
      Log Koc:  2.090       (MCI method)
      Koc    :  420.7  L/kg (Kow method)
      Log Koc:  2.624       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.765E+000  L/mol-sec
  Kb Half-Life at pH 8:       2.131  days   
  Kb Half-Life at pH 7:      21.305  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.772 (BCF = 59.12 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2689 days (HL = 0.05384 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.301 (BCF = 20.02)
   Log BAF Arnot-Gobas method (upper trophic) = 1.301 (BAF = 20.02)
       log Kow used: 3.19 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00362 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.487  hours
    Half-Life from Model Lake :      121.7  hours   (5.071 days)
 
 Removal In Wastewater Treatment:
    Total removal:              60.94  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     5.30  percent
    Total to Air:               55.56  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       13.9            22.2         1000       
   Water     41.8            208          1000       
   Soil      44.1            416          1000       
   Sediment  0.239           1.87e+003    0          
     Persistence Time: 121 hr