CAS Num: 000542-85-8
SMILES : N(=C=S)CC
CHEM   : Ethane, isothiocyanato-
MOL FOR: C3 H5 N1 S1 
MOL WT : 87.14
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.79
    Log Kow (Exper. database match) =  1.47
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  114.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -50.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.35  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.25E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -5.9 deg C
    BP  (exp database):  131.5 deg C
    VP  (exp database):  1.14E+01 mm Hg (1.52E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7022
       log Kow used: 1.47 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5032.9 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Thiocyanates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.13E-003  atm-m3/mole  (4.18E+002 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-004 atm-m3/mole  (1.547E+001 Pa-m3/mole)
      VP:   9.35 mm Hg (source: MPBPVP)
      WS:   7.02E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.47  (exp database)
  Log Kaw used:  -0.773  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.243
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7061
   Biowin2 (Non-Linear Model)     :   0.8546
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0066  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7220  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5027
   Biowin6 (MITI Non-Linear Model):   0.6128
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7825
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.52E+003 Pa (11.4 mm Hg)
  Log Koa (Koawin est  ): 2.243
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.97E-009 
       Octanol/air (Koa) model:  4.3E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.13E-008 
       Mackay model           :  1.58E-007 
       Octanol/air (Koa) model:  3.44E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.1013 E-12 cm3/molecule-sec
      Half-Life =     9.712 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   116.548 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.15E-007 (Junge-Pankow, Mackay avg)
      3.44E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  19.42  L/kg (MCI method)
      Log Koc:  1.288       (MCI method)
      Koc    :  109.3  L/kg (Kow method)
      Log Koc:  2.039       (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 = 0.637 (BCF = 4.334 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0394 days (HL = 0.09132 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.508 (BCF = 3.224)
   Log BAF Arnot-Gobas method (upper trophic) = 0.508 (BAF = 3.224)
       log Kow used: 1.47 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00413 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.085  hours
    Half-Life from Model Lake :      90.11  hours   (3.755 days)

 Removal In Wastewater Treatment:
    Total removal:              62.44  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     0.91  percent
    Total to Air:               61.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       43.6            233          1000       
   Water     45.6            360          1000       
   Soil      10.6            720          1000       
   Sediment  0.121           3.24e+003    0          
     Persistence Time: 141 hr