ChemSpider 2D Image | Vinyloxyethyl methacrylate | C8H12O3

Vinyloxyethyl methacrylate

  • Molecular FormulaC8H12O3
  • Average mass156.179 Da
  • Monoisotopic mass156.078644 Da
  • ChemSpider ID14377

More details:

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

1464-69-3 [RN]
2-(Vinyloxy)ethyl methacrylate [ACD/IUPAC Name]
2-(Vinyloxy)ethylmethacrylat [German] [ACD/IUPAC Name]
215-980-7 [EINECS]
2-Propenoic acid, 2-methyl-, 2-(ethenyloxy)ethyl ester [ACD/Index Name]
Méthacrylate de 2-(vinyloxy)éthyle [French] [ACD/IUPAC Name]
Vinyloxyethyl methacrylate
2-(Ethenyloxy)ethyl 2-methyl-2-propenoate
2-Methyl-2-propenoic acid 2-(ethenyloxy)ethyl ester
2-Methyl-2-propenoic acid, 2-(ethenyloxy)ethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1758914 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 204.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 76.7±17.2 °C
Index of Refraction: 1.436
Molar Refractivity: 41.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.67
ACD/KOC (pH 5.5): 163.36
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.67
ACD/KOC (pH 7.4): 163.36
Polar Surface Area: 36 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 28.0±3.0 dyne/cm
Molar Volume: 160.4±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) =  1.36

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  182.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -26.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.836  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4956
       log Kow used: 1.36 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16253 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.50E-005  atm-m3/mole
   Group Method:   5.23E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.466E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.36  (KowWin est)
  Log Kaw used:  -3.212  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.572
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5000
   Biowin2 (Non-Linear Model)     :   0.8086
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9856  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8416  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7229
   Biowin6 (MITI Non-Linear Model):   0.7985
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3555
 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):  101 Pa (0.76 mm Hg)
  Log Koa (Koawin est  ): 4.572
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.96E-008 
       Octanol/air (Koa) model:  9.16E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.07E-006 
       Mackay model           :  2.37E-006 
       Octanol/air (Koa) model:  7.33E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.1619 E-12 cm3/molecule-sec
      Half-Life =     0.175 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.099 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.012500 E-17 cm3/molecule-sec
      Half-Life =     0.569 Days (at 7E11 mol/cm3)
      Half-Life =     13.667 Hrs
   Fraction sorbed to airborne particulates (phi): 1.72E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  7.000E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.138  years  
  Kb Half-Life at pH 7:      31.376  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.344 (BCF = 2.206)
       log Kow used: 1.36 (estimated)

 Volatilization from Water:
    Henry LC:  5.23E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      141.2  hours   (5.882 days)
    Half-Life from Model Lake :       1645  hours   (68.54 days)

 Removal In Wastewater Treatment:
    Total removal:               2.23  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.84  percent
    Total to Air:                0.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.452           3.21         1000       
   Water     40.5            360          1000       
   Soil      58.9            720          1000       
   Sediment  0.0902          3.24e+003    0          
     Persistence Time: 361 hr

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