ChemSpider 2D Image | Metfendrazine | C10H16N2

Metfendrazine

  • Molecular FormulaC10H16N2
  • Average mass164.247 Da
  • Monoisotopic mass164.131348 Da
  • ChemSpider ID18390

More details:






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

1-Methyl-1-(1-phenyl-2-propanyl)hydrazin [German] [ACD/IUPAC Name]
1-Methyl-1-(1-phenyl-2-propanyl)hydrazine [ACD/IUPAC Name]
1-Méthyl-1-(1-phényl-2-propanyl)hydrazine [French] [ACD/IUPAC Name]
1-Methyl-1-(1-phenylpropan-2-yl)hydrazine
1-Methyl-1-(α-methylphenethyl)hydrazine
3734-26-7 [RN]
Hydrazine, 1-methyl-1- (α-methylphenethyl)-
Hydrazine, 1-methyl-1-(1-methyl-2-phenylethyl)- [ACD/Index Name]
Metfendrazine [Wiki]
methphendrazine
More...

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

A 17767 [DBID]
BRN 0638404 [DBID]
MO-482 [DBID]
NSC 169501 [DBID]
NSC169501 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 274.4±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 126.4±9.5 °C
Index of Refraction: 1.540
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 35.86
Polar Surface Area: 29 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 166.6±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) =  1.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  248.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  43.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0198  (Modified Grain method)
    Subcooled liquid VP: 0.0294 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):  6167
       log Kow used: 1.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.9329e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.89E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.939E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.20  (KowWin est)
  Log Kaw used:  -6.393  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.593
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8521
   Biowin2 (Non-Linear Model)     :   0.9549
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7834  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5471  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2139
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1303
 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):  3.92 Pa (0.0294 mm Hg)
  Log Koa (Koawin est  ): 7.593
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.65E-007 
       Octanol/air (Koa) model:  9.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.76E-005 
       Mackay model           :  6.12E-005 
       Octanol/air (Koa) model:  0.000769 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.6176 E-12 cm3/molecule-sec
      Half-Life =     0.361 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.334 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.44E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2541
      Log Koc:  3.405 

 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 = 0.225 (BCF = 1.678)
       log Kow used: 1.20 (estimated)

 Volatilization from Water:
    Henry LC:  9.89E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 7.587E+004  hours   (3161 days)
    Half-Life from Model Lake : 8.278E+005  hours   (3.449E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.91  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  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       0.179           8.67         1000       
   Water     34.2            360          1000       
   Soil      65.5            720          1000       
   Sediment  0.0721          3.24e+003    0          
     Persistence Time: 558 hr




                    

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