α-ocimene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.88
    Log Kow (Exper. database match) =  4.17
       Exper. Ref:  Chem Inspect Test Inst (1992)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  156.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -64.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.4  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <-10 deg C
    BP  (exp database):  167 deg C
    VP  (exp database):  2.01E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.923
       log Kow used: 4.17 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5.6 mg/L (25 deg C)
        Exper. Ref:  CHEM INSPECT TEST INST (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.814 mg/L
    Wat Sol (Exper. database match) =  5.60
       Exper. Ref:  CHEM INSPECT TEST INST (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.23E-001  atm-m3/mole
   Group Method:   9.52E-002  atm-m3/mole
   Exper Database: 6.43E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.215E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.17  (exp database)
  Log Kaw used:  0.420  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.750
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6827
   Biowin2 (Non-Linear Model)     :   0.7454
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8981  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6512  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4436
   Biowin6 (MITI Non-Linear Model):   0.4162
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2878
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.3890
     BioHC Half-Life (days)     :   2.4489

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  268 Pa (2.01 mm Hg)
  Log Koa (Koawin est  ): 3.750
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.12E-008 
       Octanol/air (Koa) model:  1.38E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.04E-007 
       Mackay model           :  8.96E-007 
       Octanol/air (Koa) model:  1.1E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 195.9696 E-12 cm3/molecule-sec
      Half-Life =     0.055 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.655 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    19.200001 E-17 cm3/molecule-sec
      Half-Life =     0.060 Days (at 7E11 mol/cm3)
      Half-Life =      1.432 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 6.5E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1269
      Log Koc:  3.103 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.511 (BCF = 324.3)
       log Kow used: 4.17 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0643 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.202  hours
    Half-Life from Model Lake :        111  hours   (4.624 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.84  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:    23.05  percent
    Total to Air:               73.69  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0967          0.186        1000       
   Water     31.7            360          1000       
   Soil      62.4            720          1000       
   Sediment  5.84            3.24e+003    0          
     Persistence Time: 194 hr