ChemSpider 2D Image | 1,2-Dimethylhydrazine | C2H8N2

1,2-Dimethylhydrazine

  • Molecular FormulaC2H8N2
  • Average mass60.098 Da
  • Monoisotopic mass60.068748 Da
  • ChemSpider ID1282

More details:






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

1,2-Dimethylhydrazin [German] [ACD/IUPAC Name]
1,2-Dimethylhydrazine [ACD/IUPAC Name] [Wiki]
1,2-Dimethyl-hydrazine
1,2-Diméthylhydrazine [French] [ACD/IUPAC Name]
540-73-8 [RN]
Hydrazine, 1,2-dimethyl- [ACD/Index Name]
N,N'-Dimethylhydrazine
sym Dimethylhydrazine
sym-Dimethylhydrazine
Symetryczna dwumetylohydrazyna [Polish]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1730826 [DBID]
CCRIS 259 [DBID]
DivK1c_006802 [DBID]
HSDB 4039 [DBID]
KBio1_001746 [DBID]
KBio2_002488 [DBID]
KBio2_005056 [DBID]
KBio2_007624 [DBID]
KBioGR_001456 [DBID]
KBioSS_002496 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless or yellow hygroscopic liquid which fumes in air Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with oxidizing agents, water, moisture. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 100 mg kg-1, INM-HAM LD50 95 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      IRRITANT Matrix Scientific 077227
      Safety glasses, good ventilation. Handle as a carcinogen. Oxford University Chemical Safety Data (No longer updated) More details
  • Gas Chromatography
    • Retention Index (Kovats):

      617 (estimated with error: 83) NIST Spectra mainlib_52263, replib_231102
    • Retention Index (Normal Alkane):

      594 (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: 540738; 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
      645 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.18 mm; Column length: 10 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 295 C; Start time: 1.5 min; CAS no: 540738; Active phase: SLB-5MS; Carrier gas: Helium; Phase thickness: 0.18 um; Data type: Normal alkane RI; Authors: Risticevic, S.; Carasek, E.; Pawliszyn, J., Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee, Anal. Chim. Acta, 617, 2008, 72-84.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 81.5±0.0 °C at 760 mmHg
Vapour Pressure: 81.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 32.2±3.0 kJ/mol
Flash Point: -50.1±13.8 °C
Index of Refraction: 1.384
Molar Refractivity: 18.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 24 Å2
Polarizability: 7.3±0.5 10-24cm3
Surface Tension: 20.1±3.0 dyne/cm
Molar Volume: 79.2±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) =  -0.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  64.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -65.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  83.6  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -9 deg C
    BP  (exp database):  81 deg C
    VP  (exp database):  6.99E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.935e+005
       log Kow used: -0.54 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  BUDAVARI,S ET AL. (1996)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  BUDAVARI,S ET AL. (1996)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.95E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.680E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.54  (KowWin est)
  Log Kaw used:  -5.546  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.006
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7189
   Biowin2 (Non-Linear Model)     :   0.8962
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0664  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7610  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1612
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6769
 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):  9.32E+003 Pa (69.9 mm Hg)
  Log Koa (Koawin est  ): 5.006
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.22E-010 
       Octanol/air (Koa) model:  2.49E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.16E-008 
       Mackay model           :  2.58E-008 
       Octanol/air (Koa) model:  1.99E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 128.5296 E-12 cm3/molecule-sec
      Half-Life =     0.083 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.999 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.87E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  24.72
      Log Koc:  1.393 

 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: -0.54 (estimated)

 Volatilization from Water:
    Henry LC:  6.95E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       6532  hours   (272.1 days)
    Half-Life from Model Lake : 7.132E+004  hours   (2972 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       0.246           2            1000       
   Water     46.6            360          1000       
   Soil      53              720          1000       
   Sediment  0.0855          3.24e+003    0          
     Persistence Time: 363 hr




                    

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