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]
1,2-Ethanediol mono(2-methylpropenoate)
212-782-2 [EINECS]
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
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6E1I4IV47V [DBID]
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]
More...

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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