ChemSpider 2D Image | IX35HXL56X | C5H14N2

IX35HXL56X

  • Molecular FormulaC5H14N2
  • Average mass102.178 Da
  • Monoisotopic mass102.115700 Da
  • ChemSpider ID13609

More details:

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

2656-71-5 [RN]
Hydrazine, butylmethyl-
Hydrazine, pentyl- [ACD/Index Name]
IX35HXL56X
N-PENTYLHYDRAZINE
Pentylhydrazin [German] [ACD/IUPAC Name]
Pentylhydrazine [ACD/IUPAC Name]
Pentylhydrazine [French] [ACD/IUPAC Name]
1119-68-2 [RN]
amylhydrazine
More...

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

MFCD09803491 [DBID]

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

    Density: 0.8±0.1 g/cm3
    Boiling Point: 174.1±9.0 °C at 760 mmHg
    Vapour Pressure: 1.2±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 41.0±3.0 kJ/mol
    Flash Point: 64.6±22.3 °C
    Index of Refraction: 1.437
    Molar Refractivity: 32.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): -1.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.71
    Polar Surface Area: 38 Å2
    Polarizability: 12.8±0.5 10-24cm3
    Surface Tension: 29.5±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) =  0.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  154.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.29  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.735e+004
       log Kow used: 0.96 (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]:  2.549E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.96  (KowWin est)
  Log Kaw used:  -5.396  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.356
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8073
   Biowin2 (Non-Linear Model)     :   0.9677
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2717  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9694  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2332
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5427
 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):  401 Pa (3.01 mm Hg)
  Log Koa (Koawin est  ): 6.356
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.48E-009 
       Octanol/air (Koa) model:  5.57E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.7E-007 
       Mackay model           :  5.98E-007 
       Octanol/air (Koa) model:  4.46E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  77.8262 E-12 cm3/molecule-sec
      Half-Life =     0.137 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.649 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.34E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  206.4
      Log Koc:  2.315 

 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: 0.96 (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:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.79  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       0.549           3.3          1000       
   Water     39.4            208          1000       
   Soil      60              416          1000       
   Sediment  0.0737          1.87e+003    0          
     Persistence Time: 256 hr

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