ChemSpider 2D Image | diazene, bis(1,1-dimethylethyl)- | C8H18N2

diazene, bis(1,1-dimethylethyl)-

  • Molecular FormulaC8H18N2
  • Average mass142.242 Da
  • Monoisotopic mass142.147003 Da
  • ChemSpider ID63412
  • Double-bond stereo - Double-bond stereo


More details:






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

(E)-Bis(2-methyl-2-propanyl)diazen [German] [ACD/IUPAC Name]
(E)-Bis(2-methyl-2-propanyl)diazene [ACD/IUPAC Name]
(E)-Bis(2-méthyl-2-propanyl)diazène [French] [ACD/IUPAC Name]
Diazene, 1,2-bis(1,1-dimethylethyl)-, (E)- [ACD/Index Name]
diazene, bis(1,1-dimethylethyl)-
(tert-C4H9N)2
1,2-Bis(1,1-dimethylethyl)diazene
1,2-Ditert-butyldiazene
1,2-Di-tert-butyldiazene
15464-01-4 [RN]
More...

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

ZINC04202479 [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 150.5±9.0 °C at 760 mmHg
Vapour Pressure: 4.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.1±3.0 kJ/mol
Flash Point: 36.0±19.6 °C
Index of Refraction: 1.430
Molar Refractivity: 45.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.99
ACD/KOC (pH 5.5): 1013.05
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.99
ACD/KOC (pH 7.4): 1013.05
Polar Surface Area: 25 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 23.4±7.0 dyne/cm
Molar Volume: 176.1±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) =  4.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  114.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -67.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  20.1  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.273
       log Kow used: 4.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  113.45 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]:  7.135E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.40  (KowWin est)
  Log Kaw used:  -1.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.685
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0701
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1602  (months      )
   Biowin4 (Primary Survey Model) :   3.2828  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3808
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3098
 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):  2.52E+003 Pa (18.9 mm Hg)
  Log Koa (Koawin est  ): 5.685
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.19E-009 
       Octanol/air (Koa) model:  1.19E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.3E-008 
       Mackay model           :  9.52E-008 
       Octanol/air (Koa) model:  9.51E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.0037 E-12 cm3/molecule-sec
      Half-Life =    10.657 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.91E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  68.05
      Log Koc:  1.833 

 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 = 2.690 (BCF = 489.3)
       log Kow used: 4.40 (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:              63.19  percent
    Total biodegradation:        0.38  percent
    Total sludge adsorption:    44.95  percent
    Total to Air:               17.85  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.92            256          1000       
   Water     6.34            1.44e+003    1000       
   Soil      85.8            2.88e+003    1000       
   Sediment  4.96            1.3e+004     0          
     Persistence Time: 1.48e+003 hr




                    

Click to predict properties on the Chemicalize site






Advertisement