ChemSpider 2D Image | Dimethylhydroxylamine | C2H7NO

Dimethylhydroxylamine

  • Molecular FormulaC2H7NO
  • Average mass61.083 Da
  • Monoisotopic mass61.052765 Da
  • ChemSpider ID26020

More details:

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

5725-96-2 [RN]
Dimethylhydroxylamine
Methanamine, N-hydroxy-N-methyl- [ACD/Index Name]
N,N-DIMETHYLHYDROXYLAMINE
N-Hydroxy-N-methylmethanamin [German] [ACD/IUPAC Name]
N-Hydroxy-N-methylmethanamine [ACD/IUPAC Name]
N-Hydroxy-N-méthylméthanamine [French] [ACD/IUPAC Name]
[Hydroxy(methyl)amino]methane
16645-06-0 [RN]
34689-88-8 [RN]
More...

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

M0DV42C08K [DBID]
NSC45353 [DBID]
UNII:M0DV42C08K [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: 64.2±9.0 °C at 760 mmHg
Vapour Pressure: 138.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.8±6.0 kJ/mol
Flash Point: 16.5±17.4 °C
Index of Refraction: 1.414
Molar Refractivity: 16.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.66
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.93
Polar Surface Area: 23 Å2
Polarizability: 6.6±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 66.3±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) =  -0.55
    Log Kow (Exper. database match) =  -1.15
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  179.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0343  (Modified Grain method)
    MP  (exp database):  107-109 deg C
    VP  (exp database):  2.12E+01 mm Hg at 25 deg C
    Subcooled liquid VP: 137 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.15 (expkow database)
       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:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.33E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.757E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.15  (exp database)
  Log Kaw used:  -5.866  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.716
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7185
   Biowin2 (Non-Linear Model)     :   0.8949
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0642  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7596  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5312
   Biowin6 (MITI Non-Linear Model):   0.6902
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6769
 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):  1.83E+004 Pa (137 mm Hg)
  Log Koa (Koawin est  ): 4.716
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.64E-010 
       Octanol/air (Koa) model:  1.28E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.93E-009 
       Mackay model           :  1.31E-008 
       Octanol/air (Koa) model:  1.02E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  68.5296 E-12 cm3/molecule-sec
      Half-Life =     0.156 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.873 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.54E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  19.78
      Log Koc:  1.296 

 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: -1.15 (expkow database)

 Volatilization from Water:
    Henry LC:  3.33E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.374E+004  hours   (572.6 days)
    Half-Life from Model Lake :   1.5E+005  hours   (6249 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.313           3.75         1000       
   Water     44.3            360          1000       
   Soil      55.3            720          1000       
   Sediment  0.0812          3.24e+003    0          
     Persistence Time: 410 hr

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