ChemSpider 2D Image | TEMPO | C9H18NO


  • Molecular FormulaC9H18NO
  • Average mass156.245 Da
  • Monoisotopic mass156.138840 Da
  • ChemSpider ID2006285

More details:

Featured data source

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

(2,2,6,6-Tetramethyl-1-piperidinyl)oxidanyl [ACD/IUPAC Name]
(2,2,6,6-Tetramethyl-1-piperidinyl)oxidanyl [German] [ACD/IUPAC Name]
(2,2,6,6-Tétraméthyl-1-pipéridinyl)oxydanyl [French] [ACD/IUPAC Name]
1-Piperidinyloxy, 2,2,6,6-tetramethyl- [ACD/Index Name]
2,2,6,6-Tetramethyl piperidine-N-oxyl
2564-83-2 [RN]
Piperidinooxy, 2,2,6,6-tetramethyl-
T6NTJ AO B1 B1 F1 F1 &&Free Radical [WLN]
TEMPO [Wiki]

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

87903_FLUKA [DBID]
AI3-51508 [DBID]
BRN 1422418 [DBID]
CHEBI:32849 [DBID]

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) =  2.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  288.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  73.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.72E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000282 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):  1130
       log Kow used: 2.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21040 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.07E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.780E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.10  (KowWin est)
  Log Kaw used:  -5.359  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.459
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3048
   Biowin2 (Non-Linear Model)     :   0.0647
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4274  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3140  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4404
   Biowin6 (MITI Non-Linear Model):   0.3944
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5107
 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):  0.0376 Pa (0.000282 mm Hg)
  Log Koa (Koawin est  ): 7.459
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.98E-005 
       Octanol/air (Koa) model:  7.06E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00287 
       Mackay model           :  0.00634 
       Octanol/air (Koa) model:  0.000565 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  70.9083 E-12 cm3/molecule-sec
      Half-Life =     0.151 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.810 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00461 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  912.5
      Log Koc:  2.960 

 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 = 0.918 (BCF = 8.285)
       log Kow used: 2.10 (estimated)

 Volatilization from Water:
    Henry LC:  1.07E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       6863  hours   (286 days)
    Half-Life from Model Lake : 7.498E+004  hours   (3124 days)

 Removal In Wastewater Treatment:
    Total removal:               2.35  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.25  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.172           3.62         1000       
   Water     27.9            900          1000       
   Soil      71.9            1.8e+003     1000       
   Sediment  0.122           8.1e+003     0          
     Persistence Time: 896 hr


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