This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
To Datasheet

CAS Number: 
SMILES : CC(=O)OCC1CCCO1
CHEM   : 
MOL FOR: C7 H12 O3 
MOL WT : 144.17
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  0.89
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  183.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.511  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  68.1  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  193 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.384e+004
       log Kow used: 0.89 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  75705 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.67E-007  atm-m3/mole  (2.70E-002 Pa-m3/mole)
   Group Method:   9.09E-008  atm-m3/mole  (9.21E-003 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:  7.004E-006 atm-m3/mole  (7.097E-001 Pa-m3/mole)
      VP:   0.511 mm Hg (source: MPBPVP)
      WS:   1.38E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.89  (KowWin est)
  Log Kaw used:  -4.962  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.852
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5057
   Biowin2 (Non-Linear Model)     :   0.8336
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0121  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8590  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7499
   Biowin6 (MITI Non-Linear Model):   0.8496
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3765
 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):  62.1 Pa (0.466 mm Hg)
  Log Koa (Koawin est  ): 5.852
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.83E-008 
       Octanol/air (Koa) model:  1.75E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.74E-006 
       Mackay model           :  3.86E-006 
       Octanol/air (Koa) model:  1.4E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.3013 E-12 cm3/molecule-sec
      Half-Life =     0.502 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.026 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.8E-006 (Junge-Pankow, Mackay avg)
      1.4E-005 (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    :  18.25  L/kg (Kow method)
      Log Koc:  1.261       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.632E-001  L/mol-sec
  Kb Half-Life at pH 8:      30.478  days   
  Kb Half-Life at pH 7:     304.777  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8448 days (HL = 0.01429 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.073 (BCF = 1.184)
   Log BAF Arnot-Gobas method (upper trophic) = 0.073 (BAF = 1.184)
       log Kow used: 0.89 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.67E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2634  hours   (109.8 days)
    Half-Life from Model Lake : 2.884E+004  hours   (1202 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.79  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.11            12.1         1000       
   Water     38              360          1000       
   Soil      60.8            720          1000       
   Sediment  0.0856          3.24e+003    0          
     Persistence Time: 409 hr