ChemSpider 2D Image | Ethenimine | C2H3N

Ethenimine

  • Molecular FormulaC2H3N
  • Average mass41.052 Da
  • Monoisotopic mass41.026550 Da
  • ChemSpider ID121763

More details:

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

Ethene, imino- [ACD/Index Name]
Ethenimin [German] [ACD/IUPAC Name]
Ethenimine [ACD/IUPAC Name]
Éthénimine [French] [ACD/IUPAC Name]
Ethyleneimine
ETHYLENIMINE
18295-52-8 [RN]
205-793-9 [EINECS]
4120-02-9 [RN]
Aminoethylene
More...

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

Density: 0.7±0.1 g/cm3
Boiling Point: -10.8±23.0 °C at 760 mmHg
Vapour Pressure: 2605.6±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.0±3.0 kJ/mol
Flash Point: -52.8±22.6 °C
Index of Refraction: 1.372
Molar Refractivity: 13.5±0.5 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.44
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.44
Polar Surface Area: 24 Å2
Polarizability: 5.3±0.5 10-24cm3
Surface Tension: 24.0±7.0 dyne/cm
Molar Volume: 59.3±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) =  1.13

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  45.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -77.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  351  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.398e+004
       log Kow used: 1.13 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10449 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.356E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7280
   Biowin2 (Non-Linear Model)     :   0.9188
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1084  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7885  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6024
   Biowin6 (MITI Non-Linear Model):   0.8018
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6890
 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):  4.65E+004 Pa (349 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.45E-011 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.33E-009 
       Mackay model           :  5.16E-009 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.4000 E-12 cm3/molecule-sec
      Half-Life =     0.208 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.497 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 3.74E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.99
      Log Koc:  1.000 

 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 = 0.170 (BCF = 1.479)
       log Kow used: 1.13 (estimated)

 Volatilization from Water:
    Henry LC:  0.00136 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:     0.9304  hours   (55.82 min)
    Half-Life from Model Lake :      63.87  hours   (2.661 days)

 Removal In Wastewater Treatment:
    Total removal:              36.88  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.26  percent
    Total to Air:               35.56  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.47            4.1          1000       
   Water     71              360          1000       
   Soil      24.4            720          1000       
   Sediment  0.146           3.24e+003    0          
     Persistence Time: 96.9 hr

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