ChemSpider 2D Image | mono-2-(Methacryloyloxy)ethyl maleate | C10H12O6

mono-2-(Methacryloyloxy)ethyl maleate

  • Molecular FormulaC10H12O6
  • Average mass228.199 Da
  • Monoisotopic mass228.063385 Da
  • ChemSpider ID4941622
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-4-[2-(Methacryloyloxy)ethoxy]-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2Z)-4-[2-(Methacryloyloxy)ethoxy]-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
(2Z)-4-[2-(Methacryloyloxy)ethoxy]-4-oxobut-2-enoic acid
2-(methacryloyloxy)ethyl hydrogen maleate
257-569-5 [EINECS]
2-Butenedioic acid, mono[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl] ester, (2Z)- [ACD/Index Name]
31718-58-8 [RN]
51978-15-5 [RN]
Acide (2Z)-4-[2-(méthacryloyloxy)éthoxy]-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
MFCD00080563 [MDL number]
More...

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

159QMY41RL [DBID]
483729_ALDRICH [DBID]
UNII:159QMY41RL [DBID]
UNII-159QMY41RL [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 374.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 144.7±15.8 °C
Index of Refraction: 1.490
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 183.7±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) =  1.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  322.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  32.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000495  (Modified Grain method)
    Subcooled liquid VP: 0.000575 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1991
       log Kow used: 1.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18017 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.13E-012  atm-m3/mole
   Group Method:   4.25E-014  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.465E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.86  (KowWin est)
  Log Kaw used:  -10.335  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.195
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0600
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3399  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3620  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0259
   Biowin6 (MITI Non-Linear Model):   0.9506
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0449
 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):  0.0767 Pa (0.000575 mm Hg)
  Log Koa (Koawin est  ): 12.195
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.91E-005 
       Octanol/air (Koa) model:  0.385 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00141 
       Mackay model           :  0.00312 
       Octanol/air (Koa) model:  0.969 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.2312 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  30.1622 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    4.391 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.255 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.225000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.312500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    22.452 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    20.955 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 0.00227 (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 :  4.712E-001  L/mol-sec
  Kb Half-Life at pH 8:      17.025  days   
  Kb Half-Life at pH 7:     170.248  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 1.86 (estimated)

 Volatilization from Water:
    Henry LC:  4.25E-014 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.081E+010  hours   (8.671E+008 days)
    Half-Life from Model Lake :  2.27E+011  hours   (9.459E+009 days)

 Removal In Wastewater Treatment:
    Total removal:               2.14  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.04  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       1.33e-006       6.31         1000       
   Water     23.8            208          1000       
   Soil      76.1            416          1000       
   Sediment  0.0669          1.87e+003    0          
     Persistence Time: 435 hr




                    

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