CAS Num: 004404-45-9
SMILES : S=C=NCCCCCC
CHEM   : HEXANE, 1-ISOTHIOCYANATO-
MOL FOR: C7 H13 N1 S1 
MOL WT : 143.25
------------------------------ 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) =  3.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  201.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.34  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  45.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  50.37
       log Kow used: 3.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  58.832 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.28E-002  atm-m3/mole  (1.30E+003 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:  1.272E-003 atm-m3/mole  (1.289E+002 Pa-m3/mole)
      VP:   0.34 mm Hg (source: MPBPVP)
      WS:   50.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.76  (KowWin est)
  Log Kaw used:  -0.281  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.041
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7878
   Biowin2 (Non-Linear Model)     :   0.9437
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1810  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9101  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5335
   Biowin6 (MITI Non-Linear Model):   0.6358
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5687
 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):  41.6 Pa (0.312 mm Hg)
  Log Koa (Koawin est  ): 4.041
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.21E-008 
       Octanol/air (Koa) model:  2.7E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.6E-006 
       Mackay model           :  5.77E-006 
       Octanol/air (Koa) model:  2.16E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.7041 E-12 cm3/molecule-sec
      Half-Life =     1.595 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.145 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.19E-006 (Junge-Pankow, Mackay avg)
      2.16E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  214.2  L/kg (MCI method)
      Log Koc:  2.331       (MCI method)
      Koc    :  2020  L/kg (Kow method)
      Log Koc:  3.305       (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 = 2.145 (BCF = 139.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3500 days (HL = 0.4466 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.157 (BCF = 143.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.157 (BAF = 143.7)
       log Kow used: 3.76 (estimated)

 Volatilization from Water:
    Henry LC:  0.0128 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.276  hours
    Half-Life from Model Lake :      114.3  hours   (4.762 days)

 Removal In Wastewater Treatment:
    Total removal:              85.06  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    12.95  percent
    Total to Air:               72.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       22.8            38.3         1000       
   Water     50.7            360          1000       
   Soil      26              720          1000       
   Sediment  0.509           3.24e+003    0          
     Persistence Time: 123 hr