CAS Number: 629-74-3
SMILES : C(#C)CCCCCCCCCCCCCC
CHEM   : 1-Hexadecyne
MOL FOR: C16 H30 
MOL WT : 222.42
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  7.43
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  282.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00801  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.07  (Modified Grain method)
    MP  (exp database):  15 deg C
    BP  (exp database):  284 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.004405
       log Kow used: 7.43 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0053457 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.39E-001  atm-m3/mole  (6.48E+004 Pa-m3/mole)
   Group Method:   1.38E+000  atm-m3/mole  (1.39E+005 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:  5.322E-001 atm-m3/mole  (5.392E+004 Pa-m3/mole)
      VP:   0.00801 mm Hg (source: MPBPVP)
      WS:   0.00441 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.43  (KowWin est)
  Log Kaw used:  1.417  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.013
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7501
   Biowin2 (Non-Linear Model)     :   0.8448
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0060  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7959  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6933
   Biowin6 (MITI Non-Linear Model):   0.8465
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7767
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.2561
     BioHC Half-Life (days)     :  18.0341
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.07 Pa (0.00801 mm Hg)
  Log Koa (Koawin est  ): 6.013
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.81E-006 
       Octanol/air (Koa) model:  2.53E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000101 
       Mackay model           :  0.000225 
       Octanol/air (Koa) model:  2.02E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.0085 E-12 cm3/molecule-sec
      Half-Life =     0.428 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.132 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      0.000163 (Junge-Pankow, Mackay avg)
      2.02E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.315E+004  L/kg (MCI method)
      Log Koc:  4.725       (MCI method)
      Koc    :  2.806E+006  L/kg (Kow method)
      Log Koc:  6.448       (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 v3.00):
   Log BCF from regression-based method = 3.318 (BCF = 2080 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7690 days (HL = 5.875 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.550 (BCF = 354.6)
   Log BAF Arnot-Gobas method (upper trophic) = 3.955 (BAF = 9022)
       log Kow used: 7.43 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.38 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.522  hours
    Half-Life from Model Lake :      141.7  hours   (5.903 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.91  percent
    Total biodegradation:        0.48  percent
    Total sludge adsorption:    76.94  percent
    Total to Air:               19.48  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.33            10.3         1000       
   Water     39.5            360          1000       
   Soil      30.4            720          1000       
   Sediment  25.7            3.24e+003    0          
     Persistence Time: 205 hr