ChemSpider 2D Image | Methyl 1-methylhydrazinecarboxylate | C3H8N2O2

Methyl 1-methylhydrazinecarboxylate

  • Molecular FormulaC3H8N2O2
  • Average mass104.108 Da
  • Monoisotopic mass104.058578 Da
  • ChemSpider ID280505

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

1-Méthylhydrazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Hydrazinecarboxylic acid, 1-methyl-, methyl ester [ACD/Index Name]
Methyl 1-methylhydrazinecarboxylate [ACD/IUPAC Name]
Methyl-1-methylhydrazincarboxylat [German] [ACD/IUPAC Name]
[20628-41-5] [RN]
20628-41-5 [RN]
Methyl 1-methylhydrazine carboxylate
methyl N-amino-N-methylcarbamate
METHYL N-AMINO-N-METHYL-CARBAMATE
MFCD15146446 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC245879 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 132.9±23.0 °C at 760 mmHg
    Vapour Pressure: 8.7±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 37.0±3.0 kJ/mol
    Flash Point: 34.2±22.6 °C
    Index of Refraction: 1.453
    Molar Refractivity: 25.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.83
    ACD/LogD (pH 5.5): -0.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.99
    ACD/LogD (pH 7.4): -0.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.07
    Polar Surface Area: 56 Å2
    Polarizability: 9.9±0.5 10-24cm3
    Surface Tension: 38.9±3.0 dyne/cm
    Molar Volume: 92.5±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) =  -0.87

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  139.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -11.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.36  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.057e+004
       log Kow used: -0.87 (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:
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.63E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.850E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.87  (KowWin est)
  Log Kaw used:  -7.829  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.959
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6980
   Biowin2 (Non-Linear Model)     :   0.8221
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9691  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6975  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0303
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6769
 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):  780 Pa (5.85 mm Hg)
  Log Koa (Koawin est  ): 6.959
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.85E-009 
       Octanol/air (Koa) model:  2.23E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.39E-007 
       Mackay model           :  3.08E-007 
       Octanol/air (Koa) model:  0.000179 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.3728 E-12 cm3/molecule-sec
      Half-Life =     2.446 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.352 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.23E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.65
      Log Koc:  1.166 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.244E-009  L/mol-sec
  Kb Half-Life at pH 8: 1.766E+007  years  
  Kb Half-Life at pH 7: 1.766E+008  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.87 (estimated)

 Volatilization from Water:
    Henry LC:  3.63E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.646E+006  hours   (6.857E+004 days)
    Half-Life from Model Lake : 1.795E+007  hours   (7.481E+005 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       0.00854         58.7         1000       
   Water     38.9            360          1000       
   Soil      61              720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr

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