ChemSpider 2D Image | (Hydroxyethyl)methacrylate | C6H10O3

(Hydroxyethyl)methacrylate

  • Molecular FormulaC6H10O3
  • Average mass130.142 Da
  • Monoisotopic mass130.062988 Da
  • ChemSpider ID12791

More details:






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

(Hydroxyethyl)methacrylate [Wiki]
2-Hydroxyethyl methacrylate [ACD/IUPAC Name]
2-Hydroxyethylmethacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester [ACD/Index Name]
868-77-9 [RN]
Ethylene glycol methacrylate
Glycol methacrylate
Glycol monomethacrylate
hydroxyethyl methacrylate
Méthacrylate de 2-hydroxyéthyle [French] [ACD/IUPAC Name]
More...

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

128635_ALDRICH [DBID]
17348_FLUKA [DBID]
192066_ALDRICH [DBID]
477028_ALDRICH [DBID]
525464_ALDRICH [DBID]
529257_ALDRICH [DBID]
529265_ALDRICH [DBID]
BRN 1071583 [DBID]
C14530 [DBID]
CCRIS 6879 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Unstable - may polymerize in the absence of stabilizer.May be stabilized with, or contain small amounts of, diethylene glycolmonomethacrylate, di(ethylene glycol)dimethacrylate, methacrylic acid.Incom patible with strong oxidizing agents, free radical initiators, peroxides, steel.Closed containers may explode if heated due to runaway polymerisation. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 5564 mg kg-1, ORL-MUS LD50 3275 mg kg-1, SKN-RBT LD50 > 3000 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      26-28 Alfa Aesar B24260
      36/38-43 Alfa Aesar B24260
      Flammable/keep cold/Irritant SynQuest 2324-1-14, 75285
      H315-H319-H317 Alfa Aesar B24260
      P261-P280-P305+P351+P338-P362-P363-P501a Alfa Aesar B24260
      R18,R36/37/38 SynQuest 2324-1-14, 75285
      S13,S23,S24/25,S26,S28,S33,S36/37/39,S45 SynQuest 2324-1-14, 75285
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Alfa Aesar B24260
      WARNING: Irritates lungs, eyes, skin Alfa Aesar B24260
      WARNING: May cause irritation, skin or lung sensitization. Alfa Aesar B24260
  • Gas Chromatography
    • Retention Index (Kovats):

      995 (estimated with error: 89) NIST Spectra mainlib_233551, replib_2918, replib_215828
    • Retention Index (Normal Alkane):

      985.1 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Description: 50 0C (10 min) ^ 5 0C/min -> 150 0C ^ 40 0C/min -> 250 0C (10 min); CAS no: 868779; Active phase: BP-1; Carrier gas: He; Phase thickness: 1.0 um; Data type: Normal alkane RI; Authors: Raynor, M.W.; Waring, R.M.; Davies, I.L., The Analysis of Thermosetting Acrylic Polymers by Pyrolysis Capillary Gas Chromatography, J. Chromatogr. Sci., 25, 1987, 104-111.) NIST Spectra nist ri

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: 0.2±0.7 mmHg at 25°C
Enthalpy of Vaporization: 49.5±6.0 kJ/mol
Flash Point: 97.2±0.0 °C
Index of Refraction: 1.443
Molar Refractivity: 32.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 38.67
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 38.67
Polar Surface Area: 47 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 123.5±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) =  0.30
    Log Kow (Exper. database match) =  0.47
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  198.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0791  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  67 @ 3.5 mm Hg deg C
    VP  (exp database):  1.26E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.179e+005
       log Kow used: 0.47 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+005 mg/L (25 deg C)
        Exper. Ref:  CHEM INSPECT TEST INST (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0037e+005 mg/L
    Wat Sol (Exper. database match) =  100000.00
       Exper. Ref:  CHEM INSPECT TEST INST (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.03E-009  atm-m3/mole
   Group Method:   4.55E-009  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.149E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.47  (exp database)
  Log Kaw used:  -6.542  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.012
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0185
   Biowin2 (Non-Linear Model)     :   0.9983
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2117  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0184  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9415
   Biowin6 (MITI Non-Linear Model):   0.9591
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9661
 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):  16.8 Pa (0.126 mm Hg)
  Log Koa (Koawin est  ): 7.012
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.79E-007 
       Octanol/air (Koa) model:  2.52E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.45E-006 
       Mackay model           :  1.43E-005 
       Octanol/air (Koa) model:  0.000202 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.1250 E-12 cm3/molecule-sec
      Half-Life =     0.443 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.320 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): 1.04E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.043
      Log Koc:  0.018 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.214E-003  L/mol-sec
  Kb Half-Life at pH 8:       6.834  years  
  Kb Half-Life at pH 7:      68.343  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.47 (expkow database)

 Volatilization from Water:
    Henry LC:  4.55E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.468E+005  hours   (6116 days)
    Half-Life from Model Lake : 1.601E+006  hours   (6.673E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0949          7.39         1000       
   Water     38.4            360          1000       
   Soil      61.5            720          1000       
   Sediment  0.0722          3.24e+003    0          
     Persistence Time: 552 hr




                    

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