ChemSpider 2D Image | methoxyamine | CH5NO


  • Molecular FormulaCH5NO
  • Average mass47.056 Da
  • Monoisotopic mass47.037113 Da
  • ChemSpider ID3970

More details:

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

(Aminooxy)methan [German] [ACD/IUPAC Name]
(Aminooxy)methane [ACD/IUPAC Name]
(Aminooxy)méthane [French] [ACD/IUPAC Name]
199807-37-9 [RN]
200-660-1 [EINECS]
67-62-9 [RN]
Amidogen, methoxy-
Hydroxylamine, O-methyl- [ACD/Index Name]

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

BRN 1098249 [DBID]
BSPBio_002410 [DBID]
DivK1c_000600 [DBID]
DivK1c_006840 [DBID]
HSDB 2883 [DBID]
IDI1_000600 [DBID]
KBio1_000600 [DBID]
KBio1_001784 [DBID]
KBio2_002130 [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 49.5±9.0 °C at 760 mmHg
    Vapour Pressure: 297.5±0.1 mmHg at 25°C
    Enthalpy of Vaporization: 29.3±3.0 kJ/mol
    Flash Point: -5.8±12.4 °C
    Index of Refraction: 1.354
    Molar Refractivity: 12.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.23
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.42
    ACD/LogD (pH 7.4): -0.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.20
    Polar Surface Area: 35 Å2
    Polarizability: 4.7±0.5 10-24cm3
    Surface Tension: 23.0±3.0 dyne/cm
    Molar Volume: 55.1±3.0 cm3

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

     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  -0.40
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  37.92  (Adapted Stein & Brown method)
        Melting Pt (deg C):  -79.08  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  299  (Mean VP of Antoine & Grain methods)
        MP  (exp database):  < 25 deg C
        BP  (exp database):  49.5 deg C
        VP  (exp database):  2.91E+02 mm Hg at 25 deg C
     Water Solubility Estimate from Log Kow (WSKOW v1.41):
        Water Solubility at 25 deg C (mg/L):  2.954e+005
           log Kow used: -0.40 (estimated)
           no-melting pt equation used
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  1e+006 mg/L
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Neutral Organics
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   2.21E-006  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  6.268E-005 atm-m3/mole
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  -0.40  (KowWin est)
      Log Kaw used:  -4.044  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  3.644
          Log Koa (experimental database):  None
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.7251
       Biowin2 (Non-Linear Model)     :   0.9122
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   3.0952  (weeks       )
       Biowin4 (Primary Survey Model) :   3.7798  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.5726
       Biowin6 (MITI Non-Linear Model):   0.7661
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.7565
     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):  3.88E+004 Pa (291 mm Hg)
      Log Koa (Koawin est  ): 3.644
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  7.73E-011 
           Octanol/air (Koa) model:  1.08E-009 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  2.79E-009 
           Mackay model           :  6.19E-009 
           Octanol/air (Koa) model:  8.65E-008 
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  21.0245 E-12 cm3/molecule-sec
          Half-Life =     0.509 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     6.105 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 4.49E-009 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  23.74
          Log Koc:  1.376 
     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 = 0.500 (BCF = 3.162)
           log Kow used: -0.40 (estimated)
     Volatilization from Water:
        Henry LC:  2.21E-006 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River:      182.4  hours   (7.602 days)
        Half-Life from Model Lake :       2048  hours   (85.32 days)
     Removal In Wastewater Treatment:
        Total removal:               1.97  percent
        Total biodegradation:        0.09  percent
        Total sludge adsorption:     1.75  percent
        Total to Air:                0.13  percent
          (using 10000 hr Bio P,A,S)
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       1.59            12.2         1000       
       Water     47.7            360          1000       
       Soil      50.6            720          1000       
       Sediment  0.0876          3.24e+003    0          
         Persistence Time: 340 hr

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