CAS Number: 6909-30-4
SMILES : C1CC(C(C)=C)CC(O2)C12C
CHEM   : trans-Limonene oxide
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ 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) =  3.43
    Log Kow (Exper. database match) =  3.20
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  175.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.59  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  212  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  113.5 @ 50 mm Hg deg C
    VP  (exp database):  6.23E-01 mm Hg (8.31E+001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  137.2
       log Kow used: 3.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  702 mg/L (25 deg C)
        Exper. Ref:  FICHAN,I ET AL. (1999)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  392.12 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.50E-004  atm-m3/mole  (4.56E+001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.78E-04  atm-m3/mole  (1.80E+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:  2.321E-003 atm-m3/mole  (2.352E+002 Pa-m3/mole)
      VP:   1.59 mm Hg (source: MPBPVP)
      WS:   137 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.20  (exp database)
  Log Kaw used:  -2.138  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.338
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1438
   Biowin2 (Non-Linear Model)     :   0.0133
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6420  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4649  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4256
   Biowin6 (MITI Non-Linear Model):   0.2629
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3427
 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):  83.1 Pa (0.623 mm Hg)
  Log Koa (Koawin est  ): 5.338
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.61E-008 
       Octanol/air (Koa) model:  5.35E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.3E-006 
       Mackay model           :  2.89E-006 
       Octanol/air (Koa) model:  4.28E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  62.8129 E-12 cm3/molecule-sec
      Half-Life =     0.170 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.043 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.1E-006 (Junge-Pankow, Mackay avg)
      4.28E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  248.7  L/kg (MCI method)
      Log Koc:  2.396       (MCI method)
      Koc    :  402.3  L/kg (Kow method)
      Log Koc:  2.605       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  5.742E+000  L/mol-sec
  Ka Half-Life at pH 7:      13.970  days   
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.778 (BCF = 60.03 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3839 days (HL = 2.42 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.160 (BCF = 144.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.160 (BAF = 144.7)
       log Kow used: 3.20 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000178 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      5.317  hours
    Half-Life from Model Lake :      161.5  hours   (6.728 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.96  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     7.34  percent
    Total to Air:                7.49  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.349           3.47         1000       
   Water     17.2            900          1000       
   Soil      82.2            1.8e+003     1000       
   Sediment  0.245           8.1e+003     0          
     Persistence Time: 739 hr