CAS Number: 23850-78-4
SMILES : O(C1)C1CC(C)C
CHEM   : OXIRANE, (2-METHYLPROPYL)-
MOL FOR: C6 H12 O1 
MOL WT : 100.16
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  1.77
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  92.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -73.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  59.3  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.9E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3583
       log Kow used: 1.77 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9059 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.73E-004  atm-m3/mole  (3.78E+001 Pa-m3/mole)
   Group Method:   4.15E-004  atm-m3/mole  (4.21E+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:  2.181E-003 atm-m3/mole  (2.210E+002 Pa-m3/mole)
      VP:   59.3 mm Hg (source: MPBPVP)
      WS:   3.58E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.77  (KowWin est)
  Log Kaw used:  -1.817  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.587
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3525
   Biowin2 (Non-Linear Model)     :   0.1367
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9692  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6935  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4474
   Biowin6 (MITI Non-Linear Model):   0.5007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1993
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.57E+003 Pa (56.8 mm Hg)
  Log Koa (Koawin est  ): 3.587
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.96E-010 
       Octanol/air (Koa) model:  9.48E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.43E-008 
       Mackay model           :  3.17E-008 
       Octanol/air (Koa) model:  7.59E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.6320 E-12 cm3/molecule-sec
      Half-Life =     2.309 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.710 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.3E-008 (Junge-Pankow, Mackay avg)
      7.59E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  27.67  L/kg (MCI method)
      Log Koc:  1.442       (MCI method)
      Koc    :  65.09  L/kg (Kow method)
      Log Koc:  1.814       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  3.569E-002  L/mol-sec
  Ka Half-Life at pH 7:       6.154  years  
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.836 (BCF = 6.857 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8405 days (HL = 0.1444 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.767 (BCF = 5.853)
   Log BAF Arnot-Gobas method (upper trophic) = 0.767 (BAF = 5.853)
       log Kow used: 1.77 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000373 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.592  hours
    Half-Life from Model Lake :      112.2  hours   (4.675 days)
 
 Removal In Wastewater Treatment:
    Total removal:              16.29  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:               14.45  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.5            55.4         1000       
   Water     36.3            360          1000       
   Soil      51.2            720          1000       
   Sediment  0.108           3.24e+003    0          
     Persistence Time: 230 hr