CAS Number: 931-49-7
SMILES : C#CC1=CCCCC1
CHEM   : Cyclohexene, 1-ethynyl-
MOL FOR: C8 H10 
MOL WT : 106.17
------------------------------ 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) =  3.23
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  145.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -25.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.23  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  830  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  57
       log Kow used: 3.23 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  453.74 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.69E-002  atm-m3/mole  (3.73E+003 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.527E-002 atm-m3/mole  (1.547E+003 Pa-m3/mole)
      VP:   6.23 mm Hg (source: MPBPVP)
      WS:   57 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.23  (KowWin est)
  Log Kaw used:  0.179  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.051
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6970
   Biowin2 (Non-Linear Model)     :   0.8177
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9646  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6946  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4814
   Biowin6 (MITI Non-Linear Model):   0.6071
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2825
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8382
     BioHC Half-Life (days)     :   6.8897
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  764 Pa (5.73 mm Hg)
  Log Koa (Koawin est  ): 3.051
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.93E-009 
       Octanol/air (Koa) model:  2.76E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.42E-007 
       Mackay model           :  3.14E-007 
       Octanol/air (Koa) model:  2.21E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 124.0437 E-12 cm3/molecule-sec
      Half-Life =     0.086 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.035 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.396749 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.718 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.28E-007 (Junge-Pankow, Mackay avg)
      2.21E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  446.1  L/kg (MCI method)
      Log Koc:  2.649       (MCI method)
      Koc    :  635.2  L/kg (Kow method)
      Log Koc:  2.803       (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 = 1.796 (BCF = 62.58 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3336 days (HL = 0.4639 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.966 (BCF = 92.58)
   Log BAF Arnot-Gobas method (upper trophic) = 1.967 (BAF = 92.58)
       log Kow used: 3.23 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0369 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.068  hours
    Half-Life from Model Lake :      98.05  hours   (4.085 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.65  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     4.28  percent
    Total to Air:               89.34  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.71            1.33         1000       
   Water     70.4            360          1000       
   Soil      26.6            720          1000       
   Sediment  1.26            3.24e+003    0          
     Persistence Time: 87.6 hr