CAS Number: 74-86-2
SMILES : C#C
CHEM   : Ethyne
MOL FOR: C2 H2 
MOL WT : 26.04
------------------------------ 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) =  0.50
    Log Kow (Exper. database match) =  0.37
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  -36.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -154.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.81E+004  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.42E+006  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -80.7 deg C
    BP  (exp database):  -84.7 deg C
    VP  (exp database):  3.65E+04 mm Hg (4.87E+006 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.476e+004
       log Kow used: 0.37 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1200 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12559 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.40E-002  atm-m3/mole  (2.43E+003 Pa-m3/mole)
   Group Method:   2.45E-002  atm-m3/mole  (2.48E+003 Pa-m3/mole)
   Exper Database: 2.17E-02  atm-m3/mole  (2.20E+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:  1.764E-003 atm-m3/mole  (1.788E+002 Pa-m3/mole)
      VP:   1.81E+004 mm Hg (source: MPBPVP)
      WS:   1.48E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.37  (exp database)
  Log Kaw used:  -0.052  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.422
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7351
   Biowin2 (Non-Linear Model)     :   0.9333
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1416  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8102  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6347
   Biowin6 (MITI Non-Linear Model):   0.8550
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4898
     BioHC Half-Life (days)     :   3.0886
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.87E+006 Pa (3.65E+004 mm Hg)
  Log Koa (Koawin est  ): 0.422
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.16E-013 
       Octanol/air (Koa) model:  6.49E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.23E-011 
       Mackay model           :  4.93E-011 
       Octanol/air (Koa) model:  5.19E-011 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8150 E-12 cm3/molecule-sec
      Half-Life =    13.124 Days (12-hr day; 1.5E6 OH/cm3)
   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):
      3.58E-011 (Junge-Pankow, Mackay avg)
      5.19E-011 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  13.22  L/kg (MCI method)
      Log Koc:  1.121       (MCI method)
      Koc    :  2.093  L/kg (Kow method)
      Log Koc:  0.321       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4901 days (HL = 0.03235 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.014 (BCF = 1.033)
   Log BAF Arnot-Gobas method (upper trophic) = 0.014 (BAF = 1.033)
       log Kow used: 0.37 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.0217 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.5345  hours   (32.07 min)
    Half-Life from Model Lake :      48.62  hours   (2.026 days)
 
 Removal In Wastewater Treatment:
    Total removal:              89.42  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.41  percent
    Total to Air:               88.98  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.4            298          1000       
   Water     47.2            360          1000       
   Soil      2.26            720          1000       
   Sediment  0.113           3.24e+003    0          
     Persistence Time: 131 hr