ChemSpider 2D Image | (2E,2'E)-2,2'-[1,4-Phenylenedi(E)methylylidene]bis(dimethylhydrazine) | C12H18N4

(2E,2'E)-2,2'-[1,4-Phenylenedi(E)methylylidene]bis(dimethylhydrazine)

  • Molecular FormulaC12H18N4
  • Average mass218.298 Da
  • Monoisotopic mass218.153152 Da
  • ChemSpider ID7886186

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,2'E)-2,2'-[1,4-Phenylendi(E)methylyliden]bis(dimethylhydrazin) [German] [ACD/IUPAC Name]
(2E,2'E)-2,2'-[1,4-Phenylenedi(E)methylylidene]bis(dimethylhydrazine) [ACD/IUPAC Name]
(2E,2'E)-2,2'-[1,4-Phénylènedi(E)méthylylidène]bis(diméthylhydrazine) [French] [ACD/IUPAC Name]
1,4-Benzenedicarboxaldehyde, bis(2,2-dimethylhydrazone) [ACD/Index Name]
((1E)-2-{4-[(1E)-2-(dimethylamino)-2-azavinyl]phenyl}-1-azavinyl)dimethylamine
1,4-BENZENEDICARBOXALDEHYDE, BIS(DIMETHYLHYDRAZONE)
1489239-06-6 [RN]
N-[(E)-[4-[(E)-(dimethylhydrazinylidene)methyl]phenyl]methylideneamino]-N-methylmethanamine
N-[[4-[(E)-(DIMETHYLHYDRAZINYLIDENE)METHYL]PHENYL]METHYLIDENEAMINO]-N-METHYLMETHANAMINE
terephthalaldehyde bis(dimethylhydrazone)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 371.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±3.0 kJ/mol
    Flash Point: 178.2±23.2 °C
    Index of Refraction: 1.522
    Molar Refractivity: 68.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.29
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.11
    ACD/KOC (pH 5.5): 462.00
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.23
    ACD/KOC (pH 7.4): 463.54
    Polar Surface Area: 31 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 33.4±7.0 dyne/cm
    Molar Volume: 224.8±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) =  1.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  308.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  58.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000602  (Modified Grain method)
    Subcooled liquid VP: 0.00123 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):  3078
       log Kow used: 1.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  56420 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.39E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.618E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.24  (KowWin est)
  Log Kaw used:  -7.010  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.250
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6436
   Biowin2 (Non-Linear Model)     :   0.4772
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7167  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5328  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0777
   Biowin6 (MITI Non-Linear Model):   0.0634
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2022
 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):  0.164 Pa (0.00123 mm Hg)
  Log Koa (Koawin est  ): 8.250
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.83E-005 
       Octanol/air (Koa) model:  4.37E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00066 
       Mackay model           :  0.00146 
       Octanol/air (Koa) model:  0.00348 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.5059 E-12 cm3/molecule-sec
      Half-Life =     0.737 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.848 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00106 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.428E+004
      Log Koc:  4.155 

 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 = 0.254 (BCF = 1.793)
       log Kow used: 1.24 (estimated)

 Volatilization from Water:
    Henry LC:  2.39E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.619E+005  hours   (1.508E+004 days)
    Half-Life from Model Lake : 3.949E+006  hours   (1.645E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0288          17.7         1000       
   Water     37.7            900          1000       
   Soil      62.2            1.8e+003     1000       
   Sediment  0.0848          8.1e+003     0          
     Persistence Time: 1.09e+003 hr

    Click to predict properties on the Chemicalize site


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