ChemSpider 2D Image | [Isopropoxy(2-methyl-2-propanyl)amino]oxidanyl | C7H16NO2

[Isopropoxy(2-methyl-2-propanyl)amino]oxidanyl

  • Molecular FormulaC7H16NO2
  • Average mass146.207 Da
  • Monoisotopic mass146.118103 Da
  • ChemSpider ID8806017

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[Isopropoxy(2-methyl-2-propanyl)amino]oxidanyl [ACD/IUPAC Name]
[Isopropoxy(2-methyl-2-propanyl)amino]oxidanyl [German] [ACD/IUPAC Name]
[Isopropoxy(2-méthyl-2-propanyl)amino]oxydanyl [French] [ACD/IUPAC Name]
Nitroxide, (1,1-dimethylethyl)(1-methylethoxy)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  263.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  42.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000968  (Modified Grain method)
    Subcooled liquid VP: 0.00139 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1671
       log Kow used: 1.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  77829 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.01E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.122E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.95  (KowWin est)
  Log Kaw used:  -5.785  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.735
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4935
   Biowin2 (Non-Linear Model)     :   0.3090
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6617  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4819  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2932
   Biowin6 (MITI Non-Linear Model):   0.2095
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0619
 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):  0.185 Pa (0.00139 mm Hg)
  Log Koa (Koawin est  ): 7.735
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.62E-005 
       Octanol/air (Koa) model:  1.33E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000584 
       Mackay model           :  0.00129 
       Octanol/air (Koa) model:  0.00107 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  67.1856 E-12 cm3/molecule-sec
      Half-Life =     0.159 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.910 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000939 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  639
      Log Koc:  2.806 

 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 = 0.805 (BCF = 6.384)
       log Kow used: 1.95 (estimated)

 Volatilization from Water:
    Henry LC:  4.01E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.772E+004  hours   (738.2 days)
    Half-Life from Model Lake : 1.934E+005  hours   (8057 days)

 Removal In Wastewater Treatment:
    Total removal:               2.20  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.11  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       0.144           3.82         1000       
   Water     29              900          1000       
   Soil      70.7            1.8e+003     1000       
   Sediment  0.106           8.1e+003     0          
     Persistence Time: 942 hr




                    

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