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CAS Num: 000103-45-7
SMILES : O=C(OCCc(cccc1)c1)C
CHEM   : Acetic acid, 2-phenylethyl ester
MOL FOR: C10 H12 O2 
MOL WT : 164.21
------------------------------ 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) =  2.57
    Log Kow (Exper. database match) =  2.30
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  234.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  10.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0683  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  9.1  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -31.1 deg C
    BP  (exp database):  232.6 deg C
    VP  (exp database):  3.14E-02 mm Hg (4.19E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  710.8
       log Kow used: 2.30 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  266.55 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.88E-005  atm-m3/mole  (1.90E+000 Pa-m3/mole)
   Group Method:   3.30E-006  atm-m3/mole  (3.34E-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:  2.076E-005 atm-m3/mole  (2.104E+000 Pa-m3/mole)
      VP:   0.0683 mm Hg (source: MPBPVP)
      WS:   711 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.30  (exp database)
  Log Kaw used:  -3.114  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.414
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0263
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9237  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7761  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6026
   Biowin6 (MITI Non-Linear Model):   0.7607
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5736
 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):  4.19 Pa (0.0314 mm Hg)
  Log Koa (Koawin est  ): 5.414
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.17E-007 
       Octanol/air (Koa) model:  6.37E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.59E-005 
       Mackay model           :  5.73E-005 
       Octanol/air (Koa) model:  5.09E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.8742 E-12 cm3/molecule-sec
      Half-Life =     1.358 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.300 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.16E-005 (Junge-Pankow, Mackay avg)
      5.09E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  208.9  L/kg (MCI method)
      Log Koc:  2.320       (MCI method)
      Koc    :  135.4  L/kg (Kow method)
      Log Koc:  2.132       (Kow method)
       Experimental Log Koc:  1.89  (database)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.490E-001  L/mol-sec
  Kb Half-Life at pH 8:      53.837  days   
  Kb Half-Life at pH 7:       1.474  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.185 (BCF = 15.29 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6000 days (HL = 0.02512 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.796 (BCF = 6.255)
   Log BAF Arnot-Gobas method (upper trophic) = 0.796 (BAF = 6.255)
       log Kow used: 2.30 (expkow database)

 Volatilization from Water:
    Henry LC:  3.3E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      228.7  hours   (9.528 days)
    Half-Life from Model Lake :       2602  hours   (108.4 days)

 Removal In Wastewater Treatment:
    Total removal:               2.82  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.54  percent
    Total to Air:                0.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.25            32.6         1000       
   Water     25.8            360          1000       
   Soil      71.7            720          1000       
   Sediment  0.254           3.24e+003    0          
     Persistence Time: 466 hr