ChemSpider 2D Image | Myristamine oxide | C16H35NO

Myristamine oxide

  • Molecular FormulaC16H35NO
  • Average mass257.455 Da
  • Monoisotopic mass257.271851 Da
  • ChemSpider ID17695

More details:

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

1-Tetradecanamine, N,N-dimethyl-, N-oxide
222-059-3 [EINECS]
3332-27-2 [RN]
Amine oxide, dimethyl(tetradecyl)- [ACD/Index Name]
Dimethyl(tetradecyl)amine oxide [ACD/IUPAC Name]
Dimethyl(tetradecyl)aminoxid [German] [ACD/IUPAC Name]
Myristamine oxide [Wiki]
Myristyl dimethyl amine oxide

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

4245192 [DBID]
40231_FLUKA [DBID]
40234_FLUKA [DBID]
40236_FLUKA [DBID]
Admox 12 [DBID]
AIDS339048 [DBID]
AIDS-339048 [DBID]
BRN 1769927 [DBID]
HSDB 5451 [DBID]
NCI-C55129 [DBID]

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

    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 4.40
    ACD/BCF (pH 5.5): 1255.27
    ACD/KOC (pH 5.5): 5465.96
    ACD/LogD (pH 7.4): 4.48
    ACD/BCF (pH 7.4): 1496.61
    ACD/KOC (pH 7.4): 6516.86
    Polar Surface Area: 17 Å2
    Surface Tension:
    Molar Volume:

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

     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  3.36
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  500.74  (Adapted Stein & Brown method)
        Melting Pt (deg C):  212.94  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  1.78E-012  (Modified Grain method)
        Subcooled liquid VP: 1.77E-010 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):  28.52
           log Kow used: 3.36 (estimated)
           no-melting pt equation used
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  0.011528 mg/L
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aliphatic Amines
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.52E-013  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  2.123E-014 atm-m3/mole
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  3.36  (KowWin est)
      Log Kaw used:  -11.207  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  14.567
          Log Koa (experimental database):  None
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.7329
       Biowin2 (Non-Linear Model)     :   0.7653
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.9263  (weeks       )
       Biowin4 (Primary Survey Model) :   3.7439  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.5776
       Biowin6 (MITI Non-Linear Model):   0.7233
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.1798
     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):  2.36E-008 Pa (1.77E-010 mm Hg)
      Log Koa (Koawin est  ): 14.567
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  127 
           Octanol/air (Koa) model:  90.6 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  1 
           Mackay model           :  1 
           Octanol/air (Koa) model:  1 
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  30.0733 E-12 cm3/molecule-sec
          Half-Life =     0.356 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     4.268 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  6.349E+004
          Log Koc:  4.803 
     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 = 1.850 (BCF = 70.79)
           log Kow used: 3.36 (estimated)
     Volatilization from Water:
        Henry LC:  1.52E-013 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 6.193E+009  hours   (2.58E+008 days)
        Half-Life from Model Lake : 6.756E+010  hours   (2.815E+009 days)
     Removal In Wastewater Treatment:
        Total removal:              10.22  percent
        Total biodegradation:        0.16  percent
        Total sludge adsorption:    10.06  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       0.0179          8.54         1000       
       Water     16.5            360          1000       
       Soil      82.9            720          1000       
       Sediment  0.552           3.24e+003    0          
         Persistence Time: 770 hr

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