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ChemSpider 2D Image | Ethanediide | C2H4

Ethanediide

  • Molecular FormulaC2H4
  • Average mass28.054 Da
  • Monoisotopic mass28.032396 Da
  • ChemSpider ID91320

  • Charge - Charge

More details:

Date of deprecation: 12:29, Mar 17, 2013
Reason for deprecation: Deprecate record: Very unusual structure, datasources are very limited in their ability to reliably verify this structure

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Density:
Boiling Point:
Vapour Pressure: 28500.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 16.8±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.18
ACD/KOC (pH 5.5): 232.32
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.18
ACD/KOC (pH 7.4): 232.32
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.32
    Log Kow (Exper. database match) =  1.81
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -35.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -147.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.02E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -182.8 deg C
    BP  (exp database):  -88.6 deg C
    VP  (exp database):  3.15E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  938.6
       log Kow used: 1.81 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  60.2 mg/L (25 deg C)
        Exper. Ref:  MCAULIFFE,C (1966)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  383.29 mg/L
    Wat Sol (Exper. database match) =  60.20
       Exper. Ref:  MCAULIFFE,C (1966)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.50E-001  atm-m3/mole
   Group Method:   4.25E-001  atm-m3/mole
   Exper Database: 5.00E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.204E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.81  (exp database)
  Log Kaw used:  1.311  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.499
      Log Koa (experimental database):  0.420

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7332
   Biowin2 (Non-Linear Model)     :   0.9297
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1327  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8044  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6235
   Biowin6 (MITI Non-Linear Model):   0.8451
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6769
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4064
     BioHC Half-Life (days)     :   2.5494

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.2E+006 Pa (3.15E+004 mm Hg)
  Log Koa (Exp database): 0.420
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.14E-013 
       Octanol/air (Koa) model:  6.46E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.58E-011 
       Mackay model           :  5.71E-011 
       Octanol/air (Koa) model:  5.17E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2720 E-12 cm3/molecule-sec
      Half-Life =    39.323 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.15E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 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 = 0.694 (BCF = 4.94)
       log Kow used: 1.81 (expkow database)

 Volatilization from Water:
    Henry LC:  0.5 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.5602  hours   (33.61 min)
    Half-Life from Model Lake :      52.09  hours   (2.17 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.49  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.41  percent
    Total to Air:               99.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55              958          1000       
   Water     44.3            360          1000       
   Soil      0.593           720          1000       
   Sediment  0.13            3.24e+003    0          
     Persistence Time: 139 hr

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