ChemSpider 2D Image | (E)-Diisobutyldiazene | C8H18N2

(E)-Diisobutyldiazene

  • Molecular FormulaC8H18N2
  • Average mass142.242 Da
  • Monoisotopic mass142.147003 Da
  • ChemSpider ID121713

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-Diisobutyldiazen [German] [ACD/IUPAC Name]
(E)-Diisobutyldiazene [ACD/IUPAC Name]
(E)-Diisobutyldiazène [French] [ACD/IUPAC Name]
Diazene, 1,2-bis(2-methylpropyl)-, (E)- [ACD/Index Name]
Diazene, bis-(2-methylpropyl)
3896-19-3 [RN]
DIAZENE, BIS(2-METHYLPROPYL)-, (Z)-
Diisobutyl diazene

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

  • Gas Chromatography

    • Retention Index (Normal Alkane):

      867 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 3896193; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Precalculation of Gas Chromatographic Retention Indices of Organic Compounds from Boiling Points of their Structural Analogues, Zh. Struct. Khim., 40(1), 1999, 121-130, In original 123-130.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 161.2±9.0 °C at 760 mmHg
Vapour Pressure: 3.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.1±3.0 kJ/mol
Flash Point: 42.5±19.6 °C
Index of Refraction: 1.449
Molar Refractivity: 44.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.15
ACD/KOC (pH 5.5): 2200.93
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.15
ACD/KOC (pH 7.4): 2200.93
Polar Surface Area: 25 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 24.8±7.0 dyne/cm
Molar Volume: 167.1±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) =  4.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  132.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -79.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.88  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.549
       log Kow used: 4.48 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  52.599 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.27E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.654E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.48  (KowWin est)
  Log Kaw used:  -1.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.765
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4380
   Biowin2 (Non-Linear Model)     :   0.0007
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5845  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5897  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2422
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2381
 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):  1.09E+003 Pa (8.21 mm Hg)
  Log Koa (Koawin est  ): 5.765
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.74E-009 
       Octanol/air (Koa) model:  1.43E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.9E-008 
       Mackay model           :  2.19E-007 
       Octanol/air (Koa) model:  1.14E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.7392 E-12 cm3/molecule-sec
      Half-Life =     1.382 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.585 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.59E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  113.6
      Log Koc:  2.055 

 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 = 2.748 (BCF = 559.1)
       log Kow used: 4.48 (estimated)

 Volatilization from Water:
    Henry LC:  0.00127 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.767  hours
    Half-Life from Model Lake :      119.3  hours   (4.97 days)

 Removal In Wastewater Treatment:
    Total removal:              65.83  percent
    Total biodegradation:        0.41  percent
    Total sludge adsorption:    49.09  percent
    Total to Air:               16.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.71            33.2         1000       
   Water     8.67            900          1000       
   Soil      83.4            1.8e+003     1000       
   Sediment  6.22            8.1e+003     0          
     Persistence Time: 991 hr

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