ChemSpider 2D Image | diazene, bis(1,1-dimethylpropyl)- | C10H22N2

diazene, bis(1,1-dimethylpropyl)-

  • Molecular FormulaC10H22N2
  • Average mass170.295 Da
  • Monoisotopic mass170.178299 Da
  • ChemSpider ID79570

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-Bis(2-methyl-2-butanyl)diazen [German] [ACD/IUPAC Name]
(E)-Bis(2-methyl-2-butanyl)diazene [ACD/IUPAC Name]
(E)-Bis(2-méthyl-2-butanyl)diazène [French] [ACD/IUPAC Name]
1,2-Bis(1,1-dimethylpropyl)diazene
Diazene, 1,2-bis(1,1-dimethylpropyl)-, (E)- [ACD/Index Name]
diazene, bis(1,1-dimethylpropyl)-
2,2'-dimethyl-2,2'-azobutane
20149-84-2 [RN]
BIS(2-METHYLBUTAN-2-YL)DIAZENE
DIAZENE,BIS(1,1-DIMETHYLPROPYL)-

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

Density: 0.8±0.1 g/cm3
Boiling Point: 195.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.4±3.0 kJ/mol
Flash Point: 63.3±19.6 °C
Index of Refraction: 1.438
Molar Refractivity: 54.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.23
ACD/KOC (pH 5.5): 2738.16
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 445.23
ACD/KOC (pH 7.4): 2738.16
Polar Surface Area: 25 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 24.7±7.0 dyne/cm
Molar Volume: 208.4±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) =  5.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  159.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.58  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.5718
       log Kow used: 5.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.454 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.25E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.011E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.38  (KowWin est)
  Log Kaw used:  -1.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.416
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0568
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0982  (months      )
   Biowin4 (Primary Survey Model) :   3.2424  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3962
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2578
 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):  313 Pa (2.35 mm Hg)
  Log Koa (Koawin est  ): 6.416
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.57E-009 
       Octanol/air (Koa) model:  6.4E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.46E-007 
       Mackay model           :  7.66E-007 
       Octanol/air (Koa) model:  5.12E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.3013 E-12 cm3/molecule-sec
      Half-Life =     3.240 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    38.879 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.56E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  268.5
      Log Koc:  2.429 

 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 = 3.446 (BCF = 2792)
       log Kow used: 5.38 (estimated)

 Volatilization from Water:
    Henry LC:  0.00225 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.671  hours
    Half-Life from Model Lake :      127.7  hours   (5.319 days)

 Removal In Wastewater Treatment:
    Total removal:              88.33  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    81.63  percent
    Total to Air:                6.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.29            77.8         1000       
   Water     4.15            1.44e+003    1000       
   Soil      66.4            2.88e+003    1000       
   Sediment  28.2            1.3e+004     0          
     Persistence Time: 2.05e+003 hr

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