CAS Number: 103-65-1
SMILES : c(cccc1)(c1)CCC
CHEM   : Benzene, propyl-
MOL FOR: C9 H12 
MOL WT : 120.20
------------------------------ 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) =  3.52
    Log Kow (Exper. database match) =  3.69
       Exper. Ref:  SANGSTER (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  169.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -34.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.61  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  348  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -99.5 deg C
    BP  (exp database):  159.2 deg C
    VP  (exp database):  3.42E+00 mm Hg (4.56E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  70.73
       log Kow used: 3.69 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  52.2 mg/L (25 deg C)
        Exper. Ref:  TEWARI,YB ET AL. (1982A)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  51.823 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.05E-002  atm-m3/mole  (1.06E+003 Pa-m3/mole)
   Group Method:   1.25E-002  atm-m3/mole  (1.27E+003 Pa-m3/mole)
   Exper Database: 1.05E-02  atm-m3/mole  (1.06E+003 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:  5.836E-003 atm-m3/mole  (5.913E+002 Pa-m3/mole)
      VP:   2.61 mm Hg (source: MPBPVP)
      WS:   70.7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.69  (exp database)
  Log Kaw used:  -0.367  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.057
      Log Koa (experimental database):  4.090
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8731
   Biowin2 (Non-Linear Model)     :   0.9754
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8807  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6107  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3898
   Biowin6 (MITI Non-Linear Model):   0.4952
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4017
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7627
     BioHC Half-Life (days)     :   5.7897
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  456 Pa (3.42 mm Hg)
  Log Koa (Exp database): 4.090
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.58E-009 
       Octanol/air (Koa) model:  3.02E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.38E-007 
       Mackay model           :  5.26E-007 
       Octanol/air (Koa) model:  2.42E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.3100 E-12 cm3/molecule-sec
      Half-Life =     1.463 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.558 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.82E-007 (Junge-Pankow, Mackay avg)
      2.42E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  813.1  L/kg (MCI method)
      Log Koc:  2.910       (MCI method)
      Koc    :  1593  L/kg (Kow method)
      Log Koc:  3.202       (Kow method)
       Experimental Log Koc:  2.87  (database)
 
 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 = 2.102 (BCF = 126.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2994 days (HL = 0.5019 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.177 (BCF = 150.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.177 (BAF = 150.2)
       log Kow used: 3.69 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.0105 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1.18  hours
    Half-Life from Model Lake :      104.8  hours   (4.367 days)
 
 Removal In Wastewater Treatment:
    Total removal:              82.26  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    11.63  percent
    Total to Air:               70.55  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       13.8            42.8         1000       
   Water     31.5            360          1000       
   Soil      53.8            720          1000       
   Sediment  0.93            3.24e+003    0          
     Persistence Time: 198 hr