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ChemSpider 2D Image | Formaldehyde dimethylhydrazone | C3H8N2

Formaldehyde dimethylhydrazone

  • Molecular FormulaC3H8N2
  • Average mass72.109 Da
  • Monoisotopic mass72.068748 Da
  • ChemSpider ID67422

More details:






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

1UNN1&1 [WLN]
Formaldehyddimethylhydrazon [German] [ACD/IUPAC Name]
Formaldehyde dimethylhydrazone [ACD/IUPAC Name]
Formaldehyde, 2,2-dimethylhydrazone [ACD/Index Name]
Formaldéhyde-diméthylhydrazone [French] [ACD/IUPAC Name]
[2035-89-4]
2035-89-4 [RN]
4-04-00-03325 [Beilstein]
DIMETHYLHYDRAZONE FORMALDEHYDE
Dimethylmethylenehydrazine
More...

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

BRN 1737195 [DBID]
NSC516745 [DBID]
  • Gas Chromatography
    • Retention Index (Kovats):

      567 (estimated with error: 83) NIST Spectra mainlib_64489, replib_301
      593 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Start T: 60 C; CAS no: 2035894; Active phase: HP-1; Carrier gas: N2; Phase thickness: 0.52 um; Data type: Kovats RI; Authors: Kiraly, Z.; Kortvelyesi, T.; Seres, L.; Gorgenyi, M., Structure-retention relationships in the gas chromatography of N,N-dialkylhydrazones, Chromatographia, 42(11/12), 1996, 653-659., Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Start T: 60 C; CAS no: 2035894; Active phase: Methyl Silicone; Carrier gas: N2; Phase thickness: 0.52 um; Data type: Kovats RI; Authors: Gorgenyi, M.; Kiraly, Z.; Kortvelyesi, T.; van Langenhove, H.; Seres, L., Szerkezet es retencio kapcsolata a hidrazonok gazkromatografiajaban, Magy. Kem. Foly., 103(12), 1997, 576-581.) NIST Spectra nist ri
      613.7 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Start T: 60 C; CAS no: 2035894; Active phase: HP-5; Carrier gas: N2; Phase thickness: 0.52 um; Data type: Kovats RI; Authors: Kiraly, Z.; Kortvelyesi, T.; Seres, L.; Gorgenyi, M., Structure-retention relationships in the gas chromatography of N,N-dialkylhydrazones, Chromatographia, 42(11/12), 1996, 653-659.) 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: 60.0±23.0 °C at 760 mmHg
Vapour Pressure: 196.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.2±3.0 kJ/mol
Flash Point: -9.9±22.6 °C
Index of Refraction: 1.406
Molar Refractivity: 22.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.02
Polar Surface Area: 16 Å2
Polarizability: 9.0±0.5 10-24cm3
Surface Tension: 22.1±7.0 dyne/cm
Molar Volume: 92.9±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) =  0.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  46.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -101.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  330  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.525e+004
       log Kow used: 0.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.7979e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.45E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.883E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.68  (KowWin est)
  Log Kaw used:  -2.740  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.420
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7132
   Biowin2 (Non-Linear Model)     :   0.8792
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0398  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7437  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5478
   Biowin6 (MITI Non-Linear Model):   0.7135
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7029
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.37E+004 Pa (328 mm Hg)
  Log Koa (Koawin est  ): 3.420
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.86E-011 
       Octanol/air (Koa) model:  6.46E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.48E-009 
       Mackay model           :  5.49E-009 
       Octanol/air (Koa) model:  5.17E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.4636 E-12 cm3/molecule-sec
      Half-Life =     3.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    37.057 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.98E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  38.21
      Log Koc:  1.582 

 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: 0.68 (estimated)

 Volatilization from Water:
    Henry LC:  4.45E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      12.04  hours
    Half-Life from Model Lake :      202.5  hours   (8.439 days)

 Removal In Wastewater Treatment:
    Total removal:               4.17  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                2.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.01            74.1         1000       
   Water     44.6            360          1000       
   Soil      47.3            720          1000       
   Sediment  0.0854          3.24e+003    0          
     Persistence Time: 302 hr




                    

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