ChemSpider 2D Image | 1-Ethylidene-2-methylhydrazine | C3H8N2

1-Ethylidene-2-methylhydrazine

  • Molecular FormulaC3H8N2
  • Average mass72.109 Da
  • Monoisotopic mass72.068748 Da
  • ChemSpider ID78033

More details:






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

1-Ethyliden-2-methylhydrazin [German] [ACD/IUPAC Name]
1-Ethylidene-2-methylhydrazine [ACD/IUPAC Name]
1-Éthylidène-2-méthylhydrazine [French] [ACD/IUPAC Name]
Acetaldehyde, 2-methylhydrazone [ACD/Index Name]
17167-73-6 [RN]
Acetaldehyde methylhydrazone
Acetaldehyde, N-methylhydrazone
AMFH

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 104.3±7.0 °C at 760 mmHg
Vapour Pressure: 36.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.9±3.0 kJ/mol
Flash Point: 16.9±18.2 °C
Index of Refraction: 1.418
Molar Refractivity: 22.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.81
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 37.20
Polar Surface Area: 24 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 24.3±7.0 dyne/cm
Molar Volume: 87.7±7.0 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) =  0.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  79.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -83.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  89.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.304e+004
       log Kow used: 0.19 (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 :   2.69E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.107E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.19  (KowWin est)
  Log Kaw used:  -2.959  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.149
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7132
   Biowin2 (Non-Linear Model)     :   0.8792
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0398  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7437  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4478
   Biowin6 (MITI Non-Linear Model):   0.5946
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5111
 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):  1.15E+004 Pa (86.5 mm Hg)
  Log Koa (Koawin est  ): 3.149
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.6E-010 
       Octanol/air (Koa) model:  3.46E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.4E-009 
       Mackay model           :  2.08E-008 
       Octanol/air (Koa) model:  2.77E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  66.3721 E-12 cm3/molecule-sec
      Half-Life =     0.161 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.934 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.51E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  60.68
      Log Koc:  1.783 

 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: 0.19 (estimated)

 Volatilization from Water:
    Henry LC:  2.69E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      19.35  hours
    Half-Life from Model Lake :      282.3  hours   (11.76 days)

 Removal In Wastewater Treatment:
    Total removal:               3.29  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                1.46  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.799           3.87         1000       
   Water     48.6            360          1000       
   Soil      50.5            720          1000       
   Sediment  0.0903          3.24e+003    0          
     Persistence Time: 292 hr




                    

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