ChemSpider 2D Image | TRIETHYLENE GLYCOLDIMETHACRYLATE | C14H22O6

TRIETHYLENE GLYCOLDIMETHACRYLATE

  • Molecular FormulaC14H22O6
  • Average mass286.321 Da
  • Monoisotopic mass286.141632 Da
  • ChemSpider ID7691

More details:






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

1,2-Ethandiylbis(oxy-2,1-ethandiyl)-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
1,2-Ethanediylbis(oxy-2,1-ethanediyl) bis(2-methylacrylate) [ACD/IUPAC Name]
109-16-0 [RN]
203-652-6 [EINECS]
2-Propenoic acid, 2-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester [ACD/Index Name]
Bis(2-méthylacrylate) de 1,2-éthanediylbis(oxy-2,1-éthanediyle) [French] [ACD/IUPAC Name]
Ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(2-methylacrylate)
ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(2-methylprop-2-enoate)
MFCD00008591 [MDL number]
Triethylene glycol dimethacrylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

14I47YJ5EY [DBID]
1797351 [DBID]
OZ4100000 [DBID]
261548_ALDRICH [DBID]
90412_FLUKA [DBID]
BRN 1797351 [DBID]
HSDB 5388 [DBID]
NSC 84260 [DBID]
NSC84260 [DBID]
TGM 35 [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: 335.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 159.1±22.4 °C
Index of Refraction: 1.456
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.44
ACD/KOC (pH 5.5): 246.92
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.44
ACD/KOC (pH 7.4): 246.92
Polar Surface Area: 71 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 269.1±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) =  1.66
    Log Kow (Exper. database match) =  1.88
       Exper. Ref:  Sangster (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  313.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  5.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000944  (Modified Grain method)
    BP  (exp database):  170-172 @ 5 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  365.5
       log Kow used: 1.88 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3600 mg/L (37 deg C)
        Exper. Ref:  EPA

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7163.9 mg/L
    Wat Sol (Exper. database match) =  3600.00
       Exper. Ref:  EPA

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.14E-011  atm-m3/mole
   Group Method:   1.69E-012  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.731E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.88  (exp database)
  Log Kaw used:  -8.428  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.308
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2649
   Biowin2 (Non-Linear Model)     :   0.5605
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8295  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8731  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8728
   Biowin6 (MITI Non-Linear Model):   0.8413
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3680
 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):  0.126 Pa (0.000944 mm Hg)
  Log Koa (Koawin est  ): 10.308
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.38E-005 
       Octanol/air (Koa) model:  0.00499 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00086 
       Mackay model           :  0.0019 
       Octanol/air (Koa) model:  0.285 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  67.9594 E-12 cm3/molecule-sec
      Half-Life =     0.157 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.889 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.275000 E-17 cm3/molecule-sec
      Half-Life =     0.504 Days (at 7E11 mol/cm3)
      Half-Life =     12.090 Hrs
   Fraction sorbed to airborne particulates (phi): 0.00138 (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 :  1.400E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.569  years  
  Kb Half-Life at pH 7:      15.688  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.748 (BCF = 5.592)
       log Kow used: 1.88 (expkow database)

 Volatilization from Water:
    Henry LC:  1.69E-012 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.862E+008  hours   (2.443E+007 days)
    Half-Life from Model Lake : 6.395E+009  hours   (2.665E+008 days)

 Removal In Wastewater Treatment:
    Total removal:               2.15  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.05  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       3.32e-005       2.88         1000       
   Water     24.2            360          1000       
   Soil      75.7            720          1000       
   Sediment  0.0756          3.24e+003    0          
     Persistence Time: 696 hr




                    

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