CAS Number: 691-37-2
SMILES : C(=C)CC(C)C
CHEM   : 1-Pentene, 4-methyl-
MOL FOR: C6 H12 
MOL WT : 84.16
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  3.08
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  54.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -107.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  265  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.53E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -153.6 deg C
    BP  (exp database):  53.9 deg C
    VP  (exp database):  2.72E+02 mm Hg (3.63E+004 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  87.64
       log Kow used: 3.08 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  48 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  58.93 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.59E-001  atm-m3/mole  (3.63E+004 Pa-m3/mole)
   Group Method:   6.43E-001  atm-m3/mole  (6.52E+004 Pa-m3/mole)
   Exper Database: 6.28E-01  atm-m3/mole  (6.36E+004 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:  3.348E-001 atm-m3/mole  (3.393E+004 Pa-m3/mole)
      VP:   265 mm Hg (source: MPBPVP)
      WS:   87.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.08  (KowWin est)
  Log Kaw used:  1.410  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.670
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7075
   Biowin2 (Non-Linear Model)     :   0.8598
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0132  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7263  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4799
   Biowin6 (MITI Non-Linear Model):   0.6342
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3165
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6335
     BioHC Half-Life (days)     :   4.3000
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.63E+004 Pa (272 mm Hg)
  Log Koa (Koawin est  ): 1.670
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.27E-011 
       Octanol/air (Koa) model:  1.15E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.99E-009 
       Mackay model           :  6.62E-009 
       Octanol/air (Koa) model:  9.19E-010 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.1696 E-12 cm3/molecule-sec
      Half-Life =     0.355 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.254 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):
      4.8E-009 (Junge-Pankow, Mackay avg)
      9.19E-010 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  110.6  L/kg (MCI method)
      Log Koc:  2.044       (MCI method)
      Koc    :  470.7  L/kg (Kow method)
      Log Koc:  2.673       (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 = 1.698 (BCF = 49.88 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1872 days (HL = 0.6499 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.935 (BCF = 86.08)
   Log BAF Arnot-Gobas method (upper trophic) = 1.935 (BAF = 86.08)
       log Kow used: 3.08 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.628 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      0.937  hours   (56.22 min)
    Half-Life from Model Lake :      87.14  hours   (3.631 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.60  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     2.97  percent
    Total to Air:               96.60  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.93            6.41         1000       
   Water     88              360          1000       
   Soil      1.51            720          1000       
   Sediment  0.55            3.24e+003    0          
     Persistence Time: 69.8 hr