CAS Number: 8007-70-3
SMILES : CC=Cc1ccc(OC)cc1
CHEM   : Oils, anise
MOL FOR: C10 H12 O1 
MOL WT : 148.21
------------------------------ 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) =  3.39
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  217.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0634  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  8.46  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  21.35 deg C
    BP  (exp database):  234 deg C
    VP  (exp database):  7.05E-02 mm Hg (9.40E+000 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  98.68
       log Kow used: 3.39 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  111 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  66.519 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.56E-004  atm-m3/mole  (2.60E+001 Pa-m3/mole)
   Group Method:   2.23E-003  atm-m3/mole  (2.26E+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:  1.253E-004 atm-m3/mole  (1.270E+001 Pa-m3/mole)
      VP:   0.0634 mm Hg (source: MPBPVP)
      WS:   98.7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.39  (KowWin est)
  Log Kaw used:  -1.980  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.370
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8089
   Biowin2 (Non-Linear Model)     :   0.9590
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8135  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7110  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5125
   Biowin6 (MITI Non-Linear Model):   0.5365
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3262
 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):  9.4 Pa (0.0705 mm Hg)
  Log Koa (Koawin est  ): 5.370
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.19E-007 
       Octanol/air (Koa) model:  5.75E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.15E-005 
       Mackay model           :  2.55E-005 
       Octanol/air (Koa) model:  4.6E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  77.5828 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  85.1828 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.654 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.507 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      1.85E-005 (Junge-Pankow, Mackay avg)
      4.6E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  521  L/kg (MCI method)
      Log Koc:  2.717       (MCI method)
      Koc    :  718  L/kg (Kow method)
      Log Koc:  2.856       (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 v3.01):
   Log BCF from regression-based method = 1.903 (BCF = 79.92 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3806 days (HL = 2.402 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.315 (BCF = 206.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.315 (BAF = 206.5)
       log Kow used: 3.39 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00223 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.562  hours
    Half-Life from Model Lake :      119.1  hours   (4.963 days)
 
 Removal In Wastewater Treatment:
    Total removal:              51.45  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     8.25  percent
    Total to Air:               43.10  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.598           1.82         1000       
   Water     24.6            360          1000       
   Soil      74.3            720          1000       
   Sediment  0.5             3.24e+003    0          
     Persistence Time: 265 hr