ChemSpider 2D Image | Ethenol | C2H4O


  • Molecular FormulaC2H4O
  • Average mass44.053 Da
  • Monoisotopic mass44.026215 Da
  • ChemSpider ID10726

More details:

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

Ethenol [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
Ethenol [German] [ACD/Index Name] [ACD/IUPAC Name]
Éthénol [French] [ACD/IUPAC Name]
vinyl alcohol
557-75-5 [RN]
9002-89-5 [RN]
akwa tears

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

Density: 0.8±0.1 g/cm3
Boiling Point: 23.5±13.0 °C at 760 mmHg
Vapour Pressure: 811.9±0.0 mmHg at 25°C
Enthalpy of Vaporization: 31.5±6.0 kJ/mol
Flash Point: -28.3±12.8 °C
Index of Refraction: 1.381
Molar Refractivity: 12.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.13
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.11
Polar Surface Area: 20 Å2
Polarizability: 5.0±0.5 10-24cm3
Surface Tension: 22.1±3.0 dyne/cm
Molar Volume: 54.1±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) =  0.25

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  81.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -83.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  51.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.121e+004
       log Kow used: 0.25 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11213 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.84E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.661E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.25  (KowWin est)
  Log Kaw used:  -2.935  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.185
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8853
   Biowin2 (Non-Linear Model)     :   0.9707
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2618  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9136  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7608
   Biowin6 (MITI Non-Linear Model):   0.9124
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7483
 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):  6.56E+003 Pa (49.2 mm Hg)
  Log Koa (Koawin est  ): 3.185
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.57E-010 
       Octanol/air (Koa) model:  3.76E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.65E-008 
       Mackay model           :  3.66E-008 
       Octanol/air (Koa) model:  3.01E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.4400 E-12 cm3/molecule-sec
      Half-Life =     0.405 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.854 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 2.66E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.25 (estimated)

 Volatilization from Water:
    Henry LC:  2.84E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      14.36  hours
    Half-Life from Model Lake :      212.3  hours   (8.846 days)

 Removal In Wastewater Treatment:
    Total removal:               3.37  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                1.54  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.3             9.14         1000       
   Water     44              208          1000       
   Soil      53.6            416          1000       
   Sediment  0.0774          1.87e+003    0          
     Persistence Time: 210 hr


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