ChemSpider 2D Image | N'-Isopropylidenedecanehydrazide | C13H26N2O

N'-Isopropylidenedecanehydrazide

  • Molecular FormulaC13H26N2O
  • Average mass226.358 Da
  • Monoisotopic mass226.204514 Da
  • ChemSpider ID271161

More details:

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

Decanoic acid, 2-(1-methylethylidene)hydrazide [ACD/Index Name]
N'-Isopropylidendecanhydrazid [German] [ACD/IUPAC Name]
N'-Isopropylidenedecanehydrazide [ACD/IUPAC Name]
N'-Isopropylidènedécanehydrazide [French] [ACD/IUPAC Name]
501646-54-4 [RN]
Decanoic acid isopropylidene-hydrazide
MFCD03381996
N-(2-methyl-1-azaprop-1-enyl)decanamide
N'-(propan-2-ylidene)decanehydrazide
N-(propan-2-ylideneamino)decanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC204392 [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.472
    Molar Refractivity: 68.9±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 941.15
    ACD/KOC (pH 5.5): 4675.54
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 943.52
    ACD/KOC (pH 7.4): 4687.29
    Polar Surface Area: 41 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 30.7±7.0 dyne/cm
    Molar Volume: 246.0±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) =  4.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  363.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  119.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.56E-006  (Modified Grain method)
    Subcooled liquid VP: 6.46E-005 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):  2.788
       log Kow used: 4.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15.329 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.09E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.077E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.75  (KowWin est)
  Log Kaw used:  -4.682  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.432
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7482
   Biowin2 (Non-Linear Model)     :   0.8373
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9973  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7902  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4353
   Biowin6 (MITI Non-Linear Model):   0.3740
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4876
 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):  0.00861 Pa (6.46E-005 mm Hg)
  Log Koa (Koawin est  ): 9.432
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000348 
       Octanol/air (Koa) model:  0.000664 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0124 
       Mackay model           :  0.0271 
       Octanol/air (Koa) model:  0.0504 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.5579 E-12 cm3/molecule-sec
      Half-Life =     0.547 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.563 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0198 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  7714
      Log Koc:  3.887 

 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 = 1.959 (BCF = 90.89)
       log Kow used: 4.75 (estimated)

 Volatilization from Water:
    Henry LC:  5.09E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1732  hours   (72.17 days)
    Half-Life from Model Lake : 1.902E+004  hours   (792.6 days)

 Removal In Wastewater Treatment:
    Total removal:              68.24  percent
    Total biodegradation:        0.61  percent
    Total sludge adsorption:    67.62  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       0.868           13.1         1000       
   Water     19.6            360          1000       
   Soil      66.5            720          1000       
   Sediment  13              3.24e+003    0          
     Persistence Time: 559 hr

    Click to predict properties on the Chemicalize site


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