CAS Number: 143-67-9
SMILES : CCC9(O)CC3CN(CCc1c(nc2ccccc12)C(C3)(C(=O)OC)c4cc5c(cc4OC)N(C)C6C(O)(C
         (OC(=O)(C))C7(CC)C=CCN8CCC56C78)C(=O)OC)C9
CHEM   : Vinblastine
MOL FOR: C46 H58 N4 O9 
MOL WT : 811.00
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.32
    Log Kow (Exper. database match) =  3.70
       Exper. Ref:  SANGSTER (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  885.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.43E-027  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.91E-025  (Modified Grain method)
    Subcooled liquid VP: 7.34E-024 mm Hg (25 deg C, Mod-Grain method)
                       : 9.78E-022 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.04458
       log Kow used: 3.70 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.044735 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Esters
       Pyrazoles/Pyrroles 
       Vinyl/Allyl Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.03E-027  atm-m3/mole  (1.04E-022 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:  3.423E-026 atm-m3/mole  (3.468E-021 Pa-m3/mole)
      VP:   1.43E-027 mm Hg (source: MPBPVP)
      WS:   0.0446 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.70  (exp database)
  Log Kaw used:  -25.376  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  29.076
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4649
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):  -0.1304  (recalcitrant)
   Biowin4 (Primary Survey Model) :   1.7419  (recalcitrant)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0753
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -5.5148
 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):  9.79E-022 Pa (7.34E-024 mm Hg)
  Log Koa (Koawin est  ): 29.076
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.07E+015 
       Octanol/air (Koa) model:  2.92E+016 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 643.5732 E-12 cm3/molecule-sec
      Half-Life =     0.017 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.966 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7.592E+005  L/kg (MCI method)
      Log Koc:  5.880       (MCI method)
      Koc    :  16.07  L/kg (Kow method)
      Log Koc:  1.206       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.231E-002  L/mol-sec
  Kb Half-Life at pH 8:     189.615  days   
  Kb Half-Life at pH 7:       5.191  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.108 (BCF = 128.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.9598 days (HL = 0.0001097 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.822 (BCF = 6.641)
   Log BAF Arnot-Gobas method (upper trophic) = 0.822 (BAF = 6.641)
       log Kow used: 3.70 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.03E-027 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.619E+024  hours   (6.745E+022 days)
    Half-Life from Model Lake : 1.766E+025  hours   (7.358E+023 days)
 
 Removal In Wastewater Treatment:
    Total removal:              18.44  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    18.21  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000325        0.392        1000       
   Water     0.964           4.32e+003    1000       
   Soil      54.7            8.64e+003    1000       
   Sediment  44.3            3.89e+004    0          
     Persistence Time: 1.29e+004 hr