CAS Number: 83150-77-0
SMILES : SC(C1CC=C(C)CC1)(C)C
CHEM   : 
MOL FOR: C10 H18 S1 
MOL WT : 170.32
------------------------------ 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) =  4.74
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  224.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  3.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.106  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  14.1  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.485
       log Kow used: 4.74 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.039 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Thiols and Mercaptans
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.53E-002  atm-m3/mole  (1.55E+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:  4.331E-003 atm-m3/mole  (4.388E+002 Pa-m3/mole)
      VP:   0.106 mm Hg (source: MPBPVP)
      WS:   5.49 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.74  (KowWin est)
  Log Kaw used:  -0.204  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.944
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4825
   Biowin2 (Non-Linear Model)     :   0.2436
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6107  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4486  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3521
   Biowin6 (MITI Non-Linear Model):   0.2100
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1310
 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):  13.2 Pa (0.0993 mm Hg)
  Log Koa (Koawin est  ): 4.944
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.27E-007 
       Octanol/air (Koa) model:  2.16E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.18E-006 
       Mackay model           :  1.81E-005 
       Octanol/air (Koa) model:  1.73E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 127.1913 E-12 cm3/molecule-sec
      Half-Life =     0.084 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.009 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.32E-005 (Junge-Pankow, Mackay avg)
      1.73E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1606  L/kg (MCI method)
      Log Koc:  3.206       (MCI method)
      Koc    :  1.299E+004  L/kg (Kow method)
      Log Koc:  4.113       (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 = 2.795 (BCF = 623.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3202 days (HL = 2.09 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.875 (BCF = 749.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.880 (BAF = 758.5)
       log Kow used: 4.74 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0153 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.382  hours
    Half-Life from Model Lake :      124.5  hours   (5.188 days)
 
 Removal In Wastewater Treatment:
    Total removal:              91.36  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    48.05  percent
    Total to Air:               43.05  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.218           0.486        1000       
   Water     31.1            900          1000       
   Soil      65.8            1.8e+003     1000       
   Sediment  2.81            8.1e+003     0          
     Persistence Time: 254 hr