ChemSpider 2D Image | (1E)-N-Methylethanimine | C3H7N

(1E)-N-Methylethanimine

  • Molecular FormulaC3H7N
  • Average mass57.094 Da
  • Monoisotopic mass57.057850 Da
  • ChemSpider ID127090

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-N-Methylethanimin [German] [ACD/IUPAC Name]
(1E)-N-Methylethanimine [ACD/IUPAC Name]
(1E)-N-Méthyléthanimine [French] [ACD/IUPAC Name]
Methanamine, N-[(1E)-ethylidene]- [ACD/Index Name]
N-Ethylidenemethylamine
19885-67-7 [RN]
64611-40-1 [RN]
ETHYLIDENE(METHYL)AMINE
METHANAMINE, N-ETHYLIDENE-

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

  • Gas Chromatography

    • Retention Index (Normal Alkane):

      477 (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: 64611401; 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: 0.7±0.1 g/cm3
Boiling Point: 52.8±13.0 °C at 760 mmHg
Vapour Pressure: 275.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.4±3.0 kJ/mol
Flash Point: -23.7±20.7 °C
Index of Refraction: 1.377
Molar Refractivity: 19.0±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.29
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 50.68
Polar Surface Area: 12 Å2
Polarizability: 7.6±0.5 10-24cm3
Surface Tension: 20.0±7.0 dyne/cm
Molar Volume: 82.7±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) =  0.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  31.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -123.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  596  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.292e+004
       log Kow used: 0.48 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6835.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.44E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.462E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.48  (KowWin est)
  Log Kaw used:  -0.580  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.060
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7204
   Biowin2 (Non-Linear Model)     :   0.9001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0730  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7654  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4924
   Biowin6 (MITI Non-Linear Model):   0.6935
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5111
 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):  7.95E+004 Pa (596 mm Hg)
  Log Koa (Koawin est  ): 1.060
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.78E-011 
       Octanol/air (Koa) model:  2.82E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.36E-009 
       Mackay model           :  3.02E-009 
       Octanol/air (Koa) model:  2.25E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.2433 E-12 cm3/molecule-sec
      Half-Life =     4.768 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    57.216 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.19E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  43.79
      Log Koc:  1.641 

 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: 0.48 (estimated)

 Volatilization from Water:
    Henry LC:  0.00644 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.8398  hours   (50.39 min)
    Half-Life from Model Lake :      72.52  hours   (3.022 days)

 Removal In Wastewater Treatment:
    Total removal:              71.87  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.69  percent
    Total to Air:               71.14  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       42.6            114          1000       
   Water     53.3            360          1000       
   Soil      4               720          1000       
   Sediment  0.1             3.24e+003    0          
     Persistence Time: 119 hr

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