CAS Num: 000629-12-9
SMILES : S=C=NCCCCC
CHEM   : 
MOL FOR: C6 H11 N1 S1 
MOL WT : 129.22
------------------------------ 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) =  3.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  180.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -14.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.926  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  123  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  151
       log Kow used: 3.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  182.76 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.65E-003  atm-m3/mole  (9.78E+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:  1.043E-003 atm-m3/mole  (1.056E+002 Pa-m3/mole)
      VP:   0.926 mm Hg (source: MPBPVP)
      WS:   151 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.26  (KowWin est)
  Log Kaw used:  -0.404  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.664
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7945
   Biowin2 (Non-Linear Model)     :   0.9534
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2119  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9304  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5258
   Biowin6 (MITI Non-Linear Model):   0.6301
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5427
 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):  112 Pa (0.841 mm Hg)
  Log Koa (Koawin est  ): 3.664
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.68E-008 
       Octanol/air (Koa) model:  1.13E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.66E-007 
       Mackay model           :  2.14E-006 
       Octanol/air (Koa) model:  9.06E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.2910 E-12 cm3/molecule-sec
      Half-Life =     2.022 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.258 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.55E-006 (Junge-Pankow, Mackay avg)
      9.06E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  117.5  L/kg (MCI method)
      Log Koc:  2.070       (MCI method)
      Koc    :  1068  L/kg (Kow method)
      Log Koc:  3.029       (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 = 1.821 (BCF = 66.19 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4892 days (HL = 0.3242 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.900 (BCF = 79.5)
   Log BAF Arnot-Gobas method (upper trophic) = 1.900 (BAF = 79.5)
       log Kow used: 3.26 (estimated)

 Volatilization from Water:
    Henry LC:  0.00965 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.229  hours
    Half-Life from Model Lake :      108.7  hours   (4.53 days)

 Removal In Wastewater Treatment:
    Total removal:              79.88  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     5.17  percent
    Total to Air:               74.66  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       27.1            48.5         1000       
   Water     51.9            360          1000       
   Soil      20.7            720          1000       
   Sediment  0.338           3.24e+003    0          
     Persistence Time: 121 hr