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ChemSpider 2D Image | TDAE | C10H24N4

TDAE

  • Molecular FormulaC10H24N4
  • Average mass200.324 Da
  • Monoisotopic mass200.200104 Da
  • ChemSpider ID63634

More details:

Featured data source
The Merck Index Online

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

1,1,2,2-Ethenetetramine, N1,N1,N1,N1,N2,N2,N2,N2-octamethyl- [ACD/Index Name]
996-70-3 [RN]
MFCD00009601 [MDL number]
N1,N1,N1,N1,N2,N2,N2,N2-Octamethyl-1,1,2,2-ethenetetramine [ACD/IUPAC Name]
N1,N1,N1,N1,N2,N2,N2,N2-Octaméthyl-1,1,2,2-éthènetétramine [French] [ACD/IUPAC Name]
N1,N1,N1,N1,N2,N2,N2,N2-Octamethyl-1,1,2,2-ethentetramin [German] [ACD/IUPAC Name]
N1,N1,N1,N1,N2,N2,N2,N2-Octamethylethene-1,1,2,2-tetramine
OCTAMETHYLETHYLENETETRAMINE
TDAE
Tetrakis(dimethylamino)ethylene
More...

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

1705900 [DBID]
674613_ALDRICH [DBID]
ZINC00156515 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      light yellow-green liquid with an unpleasant OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable. Incompatible with acid chlorides, acids, strong oxidizing agents,acid anhydrides, carbon dioxide, oxygen, chlorinated solvents.Reacts with oxygen in air to give a greenish-yellow emission. Fla mmable. OU Chemical Safety Data (No longer updated) More details

    • Safety:

      Safety glasses, gloves, adequate ventilation. OU Chemical Safety Data (No longer updated) More details
  • Gas Chromatography

    • Retention Index (Kovats):

      1174 (estimated with error: 83) NIST Spectra mainlib_375482

    • Retention Index (Linear):

      1159 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 996703; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tretyakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2011.) 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: 227.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 53.3±0.0 °C
Index of Refraction: 1.496
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.89
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 75.27
Polar Surface Area: 13 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 215.8±3.0 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) =  -0.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  236.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0515  (Modified Grain method)
    Subcooled liquid VP: 0.052 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):  1e+006
       log Kow used: -0.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.12E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.357E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.75  (KowWin est)
  Log Kaw used:  -6.536  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.786
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1689
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7373  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.4067  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2199
   Biowin6 (MITI Non-Linear Model):   0.0016
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -4.0999
 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):  6.93 Pa (0.052 mm Hg)
  Log Koa (Koawin est  ): 5.786
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.33E-007 
       Octanol/air (Koa) model:  1.5E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.56E-005 
       Mackay model           :  3.46E-005 
       Octanol/air (Koa) model:  1.2E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 288.3744 E-12 cm3/molecule-sec
      Half-Life =     0.037 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.705 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 2.51E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  298.7
      Log Koc:  2.475 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -0.75 (estimated)

 Volatilization from Water:
    Henry LC:  7.12E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.164E+005  hours   (4850 days)
    Half-Life from Model Lake :  1.27E+006  hours   (5.291E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.0277          0.885        1000       
   Water     57.5            4.32e+003    1000       
   Soil      42.3            8.64e+003    1000       
   Sediment  0.114           3.89e+004    0          
     Persistence Time: 1.09e+003 hr

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