CAS Num: 008000-25-7
SMILES : OC(C2)C1(C)C(C)(C)C2CC1
CHEM   : Oils, rosemary
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.85
    Log Kow (Exper. database match) =  3.24
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
    Log Kow (Exper. database match) =  3.01
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
    Log Kow (Exper. database match) =  2.69
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000429  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0572  (Modified Grain method)
    MP  (exp database):  207 deg C
    BP  (exp database):  210 deg C
    VP  (exp database):  5.02E-02 mm Hg (6.69E+000 Pa) at 25 deg C
    Subcooled liquid VP: 3.17 mm Hg (25 deg C, exp database VP )
                       : 422 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1186
       log Kow used: 2.69 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  740 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  738 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  742.39 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.70E-006  atm-m3/mole  (6.79E-001 Pa-m3/mole)
   Group Method:   2.94E-006  atm-m3/mole  (2.98E-001 Pa-m3/mole)
   Exper Database: 1.38E-05  atm-m3/mole  (1.40E+000 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:  7.341E-008 atm-m3/mole  (7.439E-003 Pa-m3/mole)
      VP:   0.000429 mm Hg (source: MPBPVP)
      WS:   1.19E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.69  (exp database)
  Log Kaw used:  -3.249  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.939
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4650
   Biowin2 (Non-Linear Model)     :   0.1809
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5940  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4478  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6349
   Biowin6 (MITI Non-Linear Model):   0.5947
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2195
 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):  423 Pa (3.17 mm Hg)
  Log Koa (Koawin est  ): 5.939
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.1E-009 
       Octanol/air (Koa) model:  2.13E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.56E-007 
       Mackay model           :  5.68E-007 
       Octanol/air (Koa) model:  1.71E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.4080 E-12 cm3/molecule-sec
      Half-Life =     0.938 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.251 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.12E-007 (Junge-Pankow, Mackay avg)
      1.71E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  75.77  L/kg (MCI method)
      Log Koc:  1.880       (MCI method)
      Koc    :  100.4  L/kg (Kow method)
      Log Koc:  2.002       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.442 (BCF = 27.66 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0674 days (HL = 0.8563 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.658 (BCF = 45.52)
   Log BAF Arnot-Gobas method (upper trophic) = 1.658 (BAF = 45.52)
       log Kow used: 2.69 (expkow database)

 Volatilization from Water:
    Henry LC:  1.38E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      53.96  hours   (2.248 days)
    Half-Life from Model Lake :      692.8  hours   (28.87 days)

 Removal In Wastewater Treatment:
    Total removal:               4.50  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.64  percent
    Total to Air:                0.75  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.13            22.5         1000       
   Water     25.8            900          1000       
   Soil      72.9            1.8e+003     1000       
   Sediment  0.143           8.1e+003     0          
     Persistence Time: 833 hr