ChemSpider 2D Image | Methyl Vinyl Ether | C3H6O

Methyl Vinyl Ether

  • Molecular FormulaC3H6O
  • Average mass58.079 Da
  • Monoisotopic mass58.041866 Da
  • ChemSpider ID7573

More details:






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

Ethene, methoxy- [ACD/Index Name]
ethenyl methyl ether
Methoxyethen [German] [ACD/IUPAC Name]
Methoxyethene [ACD/IUPAC Name]
Méthoxyéthène [French] [ACD/IUPAC Name]
Methyl Vinyl Ether [Wiki]
107-25-5 [RN]
132697-29-1 [RN]
1-METHOXYETHYLENE
203-475-4 [EINECS]
More...

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

182729_ALDRICH [DBID]
CCRIS 8972 [DBID]
HSDB 1033 [DBID]
NSC 137646 [DBID]
UN1087 [DBID]

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

Density: 0.7±0.1 g/cm3
Boiling Point: 5.5±0.0 °C at 760 mmHg
Vapour Pressure: 1501.6±0.0 mmHg at 25°C
Enthalpy of Vaporization: 24.4±3.0 kJ/mol
Flash Point: -56.2±10.8 °C
Index of Refraction: 1.357
Molar Refractivity: 17.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 51.04
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 51.04
Polar Surface Area: 9 Å2
Polarizability: 6.9±0.5 10-24cm3
Surface Tension: 16.5±3.0 dyne/cm
Molar Volume: 79.5±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) =  0.42

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  18.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -115.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.48E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -122 deg C
    BP  (exp database):  5.5 deg C
    VP  (exp database):  1.32E+03 mm Hg at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.985e+004
       log Kow used: 0.42 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.5e+004 mg/L (20 deg C)
        Exper. Ref:  HORT,EV (1978)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.3277e+005 mg/L
    Wat Sol (Exper. database match) =  15000.00
       Exper. Ref:  HORT,EV (1978)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.73E-003  atm-m3/mole
   Group Method:   4.15E-003  atm-m3/mole
   Exper Database: 6.71E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.704E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.42  (KowWin est)
  Log Kaw used:  -0.562  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.982
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3725
   Biowin2 (Non-Linear Model)     :   0.2235
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0621  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7542  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5598
   Biowin6 (MITI Non-Linear Model):   0.6999
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2787
 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):  1.76E+005 Pa (1.32E+003 mm Hg)
  Log Koa (Koawin est  ): 0.982
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.7E-011 
       Octanol/air (Koa) model:  2.36E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.16E-010 
       Mackay model           :  1.36E-009 
       Octanol/air (Koa) model:  1.88E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.0196 E-12 cm3/molecule-sec
      Half-Life =     0.305 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.665 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.875000 E-17 cm3/molecule-sec
      Half-Life =     1.310 Days (at 7E11 mol/cm3)
      Half-Life =     31.433 Hrs
   Fraction sorbed to airborne particulates (phi): 9.9E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.383
      Log Koc:  0.377 

 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: 0.42 (estimated)

 Volatilization from Water:
    Henry LC:  0.00671 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.8442  hours   (50.65 min)
    Half-Life from Model Lake :      73.11  hours   (3.046 days)

 Removal In Wastewater Treatment:
    Total removal:              72.67  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.67  percent
    Total to Air:               71.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.91            6.16         1000       
   Water     84.8            360          1000       
   Soil      6.1             720          1000       
   Sediment  0.159           3.24e+003    0          
     Persistence Time: 74.3 hr




                    

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