ChemSpider 2D Image | Glycidyl methacrylate | C7H10O3

Glycidyl methacrylate

  • Molecular FormulaC7H10O3
  • Average mass142.152 Da
  • Monoisotopic mass142.062988 Da
  • ChemSpider ID7549

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

(±)-Glycidyl methacrylate
106-91-2 [RN]
2,3-EPOXYPROPYL METHACRYLATE
2,3-Epoxypropyl methacrylic acid ester
2-[(Methacryloyloxy)methyl]oxirane
2-Methyl-2-propenoic acid oxiranylmethyl ester
2-Oxiranylmethyl methacrylate [ACD/IUPAC Name]
2-Oxiranylmethylmethacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, oxiranylmethyl ester [ACD/Index Name]
Allyl glycidyl ether [UN2219] [Flammable liquid]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

151238_ALDRICH [DBID]
64161_FLUKA [DBID]
AI3-37791 [DBID]
BRN 0002506 [DBID]
BRN 0105871 [DBID]
CCRIS 2375 [DBID]
CCRIS 2626 [DBID]
CP 105 [DBID]
HSDB 494 [DBID]
HSDB 505 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 189.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 76.1±0.0 °C
Index of Refraction: 1.458
Molar Refractivity: 35.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.03
ACD/KOC (pH 5.5): 76.92
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 76.92
Polar Surface Area: 39 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 129.8±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) =  0.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  172.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -23.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.622  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  189 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.652e+004
       log Kow used: 0.81 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  49113 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.14E-007  atm-m3/mole
   Group Method:   1.14E-007  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.043E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.81  (KowWin est)
  Log Kaw used:  -4.892  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.702
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5067
   Biowin2 (Non-Linear Model)     :   0.8376
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0166  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8619  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7288
   Biowin6 (MITI Non-Linear Model):   0.7980
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4695
 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):  75.5 Pa (0.566 mm Hg)
  Log Koa (Koawin est  ): 5.702
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.98E-008 
       Octanol/air (Koa) model:  1.24E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.44E-006 
       Mackay model           :  3.18E-006 
       Octanol/air (Koa) model:  9.89E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.4623 E-12 cm3/molecule-sec
      Half-Life =     0.523 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.273 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 2.31E-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  

  Total Ka (acid-catalyzed) at 25 deg C :  2.214E-004  L/mol-sec
  Ka Half-Life at pH 7:     992.160  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.81 (estimated)

 Volatilization from Water:
    Henry LC:  3.14E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2224  hours   (92.68 days)
    Half-Life from Model Lake : 2.437E+004  hours   (1015 days)

 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.943           8.26         1000       
   Water     44.1            360          1000       
   Soil      54.9            720          1000       
   Sediment  0.0856          3.24e+003    0          
     Persistence Time: 370 hr




                    

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