ChemSpider 2D Image | MFCD00171709 | C4H12N2

MFCD00171709

  • Molecular FormulaC4H12N2
  • Average mass88.151 Da
  • Monoisotopic mass88.100044 Da
  • ChemSpider ID39806

More details:

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

229-119-8 [EINECS]
6415-12-9 [RN]
Hydrazine, 1,1,2,2-tetramethyl- [ACD/Index Name]
MFCD00171709
Tetramethylhydrazin [German] [ACD/IUPAC Name]
Tetramethylhydrazine [ACD/IUPAC Name]
Tétraméthylhydrazine [French] [ACD/IUPAC Name]
(CH3)2NN(CH3)2
09/12/6415
1,1,2,2-Tetramethylhydrazine
More...

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

1731483 [DBID]
CHW03U0AA6 [DBID]
87860_FLUKA [DBID]
UNII:CHW03U0AA6 [DBID]
  • Experimental Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Kovats):

      517 (estimated with error: 83) NIST Spectra mainlib_118867

    • Retention Index (Normal Alkane):

      614 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 6415129; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 67.1±23.0 °C at 760 mmHg
Vapour Pressure: 147.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.9±3.0 kJ/mol
Flash Point: -17.6±18.2 °C
Index of Refraction: 1.427
Molar Refractivity: 28.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.73
Polar Surface Area: 6 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 24.5±3.0 dyne/cm
Molar Volume: 109.1±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) =  -0.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  70.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -73.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  131  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.467e+005
       log Kow used: -0.52 (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:
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.35E-007  atm-m3/mole
   Group Method:   7.39E-007  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.383E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.52  (KowWin est)
  Log Kaw used:  -4.863  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.343
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7056
   Biowin2 (Non-Linear Model)     :   0.8528
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0044  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7206  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4515
   Biowin6 (MITI Non-Linear Model):   0.5146
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5178
 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):  1.71E+004 Pa (128 mm Hg)
  Log Koa (Koawin est  ): 4.343
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.76E-010 
       Octanol/air (Koa) model:  5.41E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.35E-009 
       Mackay model           :  1.41E-008 
       Octanol/air (Koa) model:  4.33E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 137.0592 E-12 cm3/molecule-sec
      Half-Life =     0.078 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.936 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.02E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  34.04
      Log Koc:  1.532 

 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: -0.52 (estimated)

 Volatilization from Water:
    Henry LC:  7.39E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      744.8  hours   (31.03 days)
    Half-Life from Model Lake :       8204  hours   (341.8 days)

 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.26            1.72         1000       
   Water     48.3            360          1000       
   Soil      51.3            720          1000       
   Sediment  0.0887          3.24e+003    0          
     Persistence Time: 336 hr

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