ChemSpider 2D Image | METHACRYLOXYETHYL VINYL CARBONATE | C9H12O5

METHACRYLOXYETHYL VINYL CARBONATE

  • Molecular FormulaC9H12O5
  • Average mass200.189 Da
  • Monoisotopic mass200.068466 Da
  • ChemSpider ID16233710

More details:

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

145497-35-4 [RN]
2-{[(Vinyloxy)carbonyl]oxy}ethyl methacrylate [ACD/IUPAC Name]
2-{[(Vinyloxy)carbonyl]oxy}ethylmethacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, 2-[[(ethenyloxy)carbonyl]oxy]ethyl ester [ACD/Index Name]
Méthacrylate de 2-{[(vinyloxy)carbonyl]oxy}éthyle [French] [ACD/IUPAC Name]
METHACRYLOXYETHYL VINYL CARBONATE
2-{[(Ethenyloxy)carbonyl]oxy}ethyl 2-methylprop-2-enoate
2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate
2-methylacrylic acid 2-ethenoxycarbonyloxyethyl ester
2-methylprop-2-enoic acid 2-(ethenoxy-oxomethoxy)ethyl ester

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

CRH21IAY5I [DBID]
UNII:CRH21IAY5I [DBID]
UNII-CRH21IAY5I [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 287.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 123.8±25.2 °C
Index of Refraction: 1.448
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.07
ACD/KOC (pH 5.5): 168.67
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.07
ACD/KOC (pH 7.4): 168.67
Polar Surface Area: 62 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 180.4±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) =  1.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  258.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -26.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0169  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2189
       log Kow used: 1.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2583.1 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Methacrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.08E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.034E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.52  (KowWin est)
  Log Kaw used:  -3.355  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.875
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8264
   Biowin2 (Non-Linear Model)     :   0.9859
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8970  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7879  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5905
   Biowin6 (MITI Non-Linear Model):   0.5532
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6127
 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):  2.24 Pa (0.0168 mm Hg)
  Log Koa (Koawin est  ): 4.875
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.34E-006 
       Octanol/air (Koa) model:  1.84E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.84E-005 
       Mackay model           :  0.000107 
       Octanol/air (Koa) model:  1.47E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  48.1022 E-12 cm3/molecule-sec
      Half-Life =     0.222 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.668 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.312500 E-17 cm3/molecule-sec
      Half-Life =     0.873 Days (at 7E11 mol/cm3)
      Half-Life =     20.955 Hrs
   Fraction sorbed to airborne particulates (phi): 7.78E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  40.78
      Log Koc:  1.610 

 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 = 0.472 (BCF = 2.964)
       log Kow used: 1.52 (estimated)

 Volatilization from Water:
    Henry LC:  1.08E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      78.15  hours   (3.256 days)
    Half-Life from Model Lake :      971.1  hours   (40.46 days)

 Removal In Wastewater Treatment:
    Total removal:               2.57  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  percent
    Total to Air:                0.60  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.605           4.25         1000       
   Water     38.4            360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0923          3.24e+003    0          
     Persistence Time: 363 hr

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