CAS Num: 008048-51-9
SMILES : C(=C)C(O)(C)CCC=C(C)C
CHEM   : Oils, petitgrain lemon
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ 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) =  3.38
    Log Kow (Exper. database match) =  2.97
       Exper. Ref:  LI,J & PERDUE,EM (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  204.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -11.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0832  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  11.1  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  198 deg C
    VP  (exp database):  1.60E-01 mm Hg (2.13E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  683.7
       log Kow used: 2.97 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1590 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  709.26 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.23E-005  atm-m3/mole  (4.28E+000 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.15E-05  atm-m3/mole  (2.18E+000 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:  2.470E-005 atm-m3/mole  (2.503E+000 Pa-m3/mole)
      VP:   0.0832 mm Hg (source: MPBPVP)
      WS:   684 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.97  (exp database)
  Log Kaw used:  -3.056  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.026
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4902
   Biowin2 (Non-Linear Model)     :   0.2880
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6462  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4717  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4457
   Biowin6 (MITI Non-Linear Model):   0.3782
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0210
 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):  21.3 Pa (0.16 mm Hg)
  Log Koa (Koawin est  ): 6.026
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.41E-007 
       Octanol/air (Koa) model:  2.61E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.08E-006 
       Mackay model           :  1.12E-005 
       Octanol/air (Koa) model:  2.08E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 119.6431 E-12 cm3/molecule-sec
      Half-Life =     0.089 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.073 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.174999 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.222 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      8.16E-006 (Junge-Pankow, Mackay avg)
      2.08E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  75.25  L/kg (MCI method)
      Log Koc:  1.876       (MCI method)
      Koc    :  143.4  L/kg (Kow method)
      Log Koc:  2.156       (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 = 1.627 (BCF = 42.33 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1392 days (HL = 0.7258 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.871 (BCF = 74.34)
   Log BAF Arnot-Gobas method (upper trophic) = 1.871 (BAF = 74.34)
       log Kow used: 2.97 (expkow database)

 Volatilization from Water:
    Henry LC:  2.15E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      35.09  hours   (1.462 days)
    Half-Life from Model Lake :      486.9  hours   (20.29 days)

 Removal In Wastewater Treatment:
    Total removal:               6.54  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.28  percent
    Total to Air:                1.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0342          0.457        1000       
   Water     25.8            900          1000       
   Soil      74              1.8e+003     1000       
   Sediment  0.142           8.1e+003     0          
     Persistence Time: 792 hr