CAS Num: 000556-61-6
SMILES : N(=C=S)C
CHEM   : Methane, isothiocyanato-
MOL FOR: C2 H3 N1 S1 
MOL WT : 73.11
------------------------------ 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) =  1.30
    Log Kow (Exper. database match) =  0.94
       Exper. Ref:  POMONA (1987)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  90.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -63.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  12.2  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.62E+003  (Modified Grain method)
    MP  (exp database):  36 deg C
    BP  (exp database):  119 deg C
    VP  (exp database):  3.54E+00 mm Hg (4.72E+002 Pa) at 25 deg C
    Subcooled liquid VP: 4.55 mm Hg (25 deg C, exp database VP )
                       : 606 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.113e+004
       log Kow used: 0.94 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  7600 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14542 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.11E-003  atm-m3/mole  (3.15E+002 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 4.48E-05  atm-m3/mole  (4.54E+000 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:  5.554E-005 atm-m3/mole  (5.628E+000 Pa-m3/mole)
      VP:   12.2 mm Hg (source: MPBPVP)
      WS:   2.11E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.94  (exp database)
  Log Kaw used:  -2.737  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.677
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7127
   Biowin2 (Non-Linear Model)     :   0.8777
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0376  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7423  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4950
   Biowin6 (MITI Non-Linear Model):   0.6069
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  607 Pa (4.55 mm Hg)
  Log Koa (Koawin est  ): 3.677
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.95E-009 
       Octanol/air (Koa) model:  1.17E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.79E-007 
       Mackay model           :  3.96E-007 
       Octanol/air (Koa) model:  9.33E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1360 E-12 cm3/molecule-sec
      Half-Life =    78.647 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.87E-007 (Junge-Pankow, Mackay avg)
      9.33E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.66  L/kg (MCI method)
      Log Koc:  1.028       (MCI method)
      Koc    :  55.65  L/kg (Kow method)
      Log Koc:  1.745       (Kow method)
       Experimental Log Koc:  0.97  (database)

 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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1905 days (HL = 0.06448 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.190 (BCF = 1.548)
   Log BAF Arnot-Gobas method (upper trophic) = 0.190 (BAF = 1.548)
       log Kow used: 0.94 (expkow database)

 Volatilization from Water:
    Henry LC:  4.48E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      12.05  hours
    Half-Life from Model Lake :      203.1  hours   (8.463 days)

 Removal In Wastewater Treatment:
    Total removal:               4.20  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                2.36  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       11.9            1.89e+003    1000       
   Water     36.6            360          1000       
   Soil      51.4            720          1000       
   Sediment  0.0835          3.24e+003    0          
     Persistence Time: 358 hr