CAS Number: 70892-20-5
SMILES : CCCCCCCCCCCCCCCC(=O)OC
CHEM   : Oils, calendula officinalis
MOL FOR: C17 H34 O2 
MOL WT : 270.46
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  7.25
    Log Kow (Exper. database match) =  7.38
       Exper. Ref:  KROP,HB ET AL. (1997)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  324.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  63.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000475  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0634  (Modified Grain method)
    MP  (exp database):  30 deg C
    BP  (exp database):  211.5 @ 30 mm Hg deg C
    VP  (exp database):  4.70E-05 mm Hg (6.27E-003 Pa) at 25 deg C
    Subcooled liquid VP: 5.27E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00702 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.00905
       log Kow used: 7.38 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.012481 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.26E-003  atm-m3/mole  (9.38E+002 Pa-m3/mole)
   Group Method:   1.47E-002  atm-m3/mole  (1.49E+003 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:  1.868E-002 atm-m3/mole  (1.893E+003 Pa-m3/mole)
      VP:   0.000475 mm Hg (source: MPBPVP)
      WS:   0.00905 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.38  (exp database)
  Log Kaw used:  -0.422  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.802
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9014
   Biowin2 (Non-Linear Model)     :   0.9939
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0400  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9556  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9439
   Biowin6 (MITI Non-Linear Model):   0.9614
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8949
 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):  0.00703 Pa (5.27E-005 mm Hg)
  Log Koa (Koawin est  ): 7.802
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000427 
       Octanol/air (Koa) model:  1.56E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0152 
       Mackay model           :  0.033 
       Octanol/air (Koa) model:  0.00124 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.8464 E-12 cm3/molecule-sec
      Half-Life =     0.568 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.810 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0241 (Junge-Pankow, Mackay avg)
      0.00124 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.429E+004  L/kg (MCI method)
      Log Koc:  4.155       (MCI method)
      Koc    :  8.742E+004  L/kg (Kow method)
      Log Koc:  4.942       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.016E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.000  days   
  Kb Half-Life at pH 7:       7.283  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 3.341 (BCF = 2194 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1400 days (HL = 1.38 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.981 (BCF = 95.63)
   Log BAF Arnot-Gobas method (upper trophic) = 2.377 (BAF = 238.5)
       log Kow used: 7.38 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.0147 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.744  hours
    Half-Life from Model Lake :      156.9  hours   (6.538 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.80  percent
    Total to Air:                0.45  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.96            13.6         1000       
   Water     20.5            360          1000       
   Soil      73.5            720          1000       
   Sediment  3.97            3.24e+003    0          
     Persistence Time: 399 hr