ChemSpider 2D Image | (2,2-Dimethylpropyl)hydrazine | C5H14N2

(2,2-Dimethylpropyl)hydrazine

  • Molecular FormulaC5H14N2
  • Average mass102.178 Da
  • Monoisotopic mass102.115700 Da
  • ChemSpider ID13711433

More details:

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

(2,2-Dimethylpropyl)hydrazin [German] [ACD/IUPAC Name]
(2,2-Dimethylpropyl)hydrazine [ACD/IUPAC Name]
(2,2-Diméthylpropyl)hydrazine [French] [ACD/IUPAC Name]
Hydrazine, (2,2-dimethylpropyl)- [ACD/Index Name]
(2,2-Dimethyl-propyl)-hydrazine
2,2-dimethylpropylhydrazine
66557-70-8 [RN]
MFCD07786228 [MDL number]
neopentylhydrazine

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

    Density: 0.8±0.1 g/cm3
    Boiling Point: 158.4±9.0 °C at 760 mmHg
    Vapour Pressure: 2.6±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.5±3.0 kJ/mol
    Flash Point: 53.0±22.3 °C
    Index of Refraction: 1.436
    Molar Refractivity: 32.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.71
    ACD/LogD (pH 5.5): -2.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.21
    Polar Surface Area: 38 Å2
    Polarizability: 12.8±0.5 10-24cm3
    Surface Tension: 27.5±3.0 dyne/cm
    Molar Volume: 123.6±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) =  0.85

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  131.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.19  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.159e+004
       log Kow used: 0.85 (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 :   9.83E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.723E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.85  (KowWin est)
  Log Kaw used:  -5.396  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.246
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5150
   Biowin2 (Non-Linear Model)     :   0.4587
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7612  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5469  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1534
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2891
 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):  1.13E+003 Pa (8.5 mm Hg)
  Log Koa (Koawin est  ): 6.246
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.65E-009 
       Octanol/air (Koa) model:  4.33E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.56E-008 
       Mackay model           :  2.12E-007 
       Octanol/air (Koa) model:  3.46E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  74.1859 E-12 cm3/molecule-sec
      Half-Life =     0.144 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.730 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.54E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  133.9
      Log Koc:  2.127 

 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: 0.85 (estimated)

 Volatilization from Water:
    Henry LC:  9.83E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       6022  hours   (250.9 days)
    Half-Life from Model Lake : 6.578E+004  hours   (2741 days)

 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.392           3.46         1000       
   Water     43.4            360          1000       
   Soil      56.2            720          1000       
   Sediment  0.0847          3.24e+003    0          
     Persistence Time: 380 hr

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