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

1,1-Dimethylhydrazine

  • Molecular FormulaC2H8N2
  • Average mass60.098 Da
  • Monoisotopic mass60.068748 Da
  • ChemSpider ID5756

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Featured data source



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

1,1-Dimethylhydrazine [ACD/IUPAC Name]
1,1-Dimethylhydrazin [German] [ACD/IUPAC Name]
1,1-Diméthylhydrazine [French] [ACD/IUPAC Name]
57-14-7 [RN]
Dimethylhydrazine unsymmetrical
Dimethylhydrazine, 1,1-
Dimethylhydrazine, as
Hydrazine, 1,1-dimethyl- [ACD/Index Name]
Hydrazine, dimethyl-
Hydrazine, N,N-dimethyl-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

40680_FLUKA [DBID]
AI3-00048 [DBID]
AIDS017656 [DBID]
AIDS-017656 [DBID]
BRN 0605261 [DBID]
BRN 0878167 [DBID]
CCRIS 258 [DBID]
D01942 [DBID]
D161608_ALDRICH [DBID]
EPA Pesticide Chemical Code 017501 [DBID]
More...

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

Density: 0.8±0.1 g/cm3
Boiling Point: 63.9±9.0 °C at 760 mmHg
Vapour Pressure: 167.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.6±3.0 kJ/mol
Flash Point: 1.1±0.0 °C
Index of Refraction: 1.426
Molar Refractivity: 18.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 29 Å2
Polarizability: 7.4±0.5 10-24cm3
Surface Tension: 27.8±3.0 dyne/cm
Molar Volume: 72.5±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) =  -1.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  62.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  168  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -58 deg C
    BP  (exp database):  63.9 deg C
    VP  (exp database):  1.63E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.19 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L ( deg C)
        Exper. Ref:  MERCK INDEX (1996)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  MERCK INDEX (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]:  1.329E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.19  (KowWin est)
  Log Kaw used:  -5.546  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.356
      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):  2.17E+004 Pa (163 mm Hg)
  Log Koa (Koawin est  ): 4.356
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.38E-010 
       Octanol/air (Koa) model:  5.57E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.99E-009 
       Mackay model           :  1.1E-008 
       Octanol/air (Koa) model:  4.46E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.5296 E-12 cm3/molecule-sec
      Half-Life =     4.228 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    50.740 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.01E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  19.78
      Log Koc:  1.296 

 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: -1.19 (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:     1.75  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       0.0396          0.274        1000       
   Water     47.9            360          1000       
   Soil      51.9            720          1000       
   Sediment  0.0877          3.24e+003    0          
     Persistence Time: 344 hr




                    

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