ChemSpider 2D Image | Trimethylolpropane ethoxy triacrylate | C21H32O9

Trimethylolpropane ethoxy triacrylate

  • Molecular FormulaC21H32O9
  • Average mass428.473 Da
  • Monoisotopic mass428.204620 Da
  • ChemSpider ID103041

More details:

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

2-(2,2-Bis{[2-(acryloyloxy)ethoxy]methyl}butoxy)ethyl acrylate [ACD/IUPAC Name]
2-(2,2-bis{[2-(acryloyloxy)ethoxy]methyl}butoxy)ethyl prop-2-enoate (non-preferred name)
2-(2,2-Bis{[2-(acryloyloxy)ethoxy]methyl}butoxy)ethyl-acrylat [German] [ACD/IUPAC Name]
28961-43-5 [RN]
75577-70-7 [RN]
Acrylate de 2-(2,2-bis{[2-(acryloyloxy)éthoxy]méthyl}butoxy)éthyle [French] [ACD/IUPAC Name]
Ethoxylated trimethylolpropane triacrylate
Trimethylolpropane ethoxy triacrylate
((2-((2-(acryloyloxy)ethoxy)methyl)-2-ethylpropane-1,3-diyl)bis(oxy))bis(ethane-2,1-diyl) diacrylate
(2-Ethyl-2-((2-((1-oxoallyl)oxy)ethoxy)methyl)-1,3-propanediyl)bis(oxy-2,1-ethanediyl) diacrylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

409073_ALDRICH [DBID]
412171_ALDRICH [DBID]
412198_ALDRICH [DBID]
SR454 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 498.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 212.2±28.8 °C
Index of Refraction: 1.471
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.85
ACD/KOC (pH 5.5): 538.02
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.85
ACD/KOC (pH 7.4): 538.02
Polar Surface Area: 107 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 390.0±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) =  2.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  429.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  125.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.54E-007  (Modified Grain method)
    Subcooled liquid VP: 1.56E-006 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):  36.88
       log Kow used: 2.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  429.47 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acrylates
       Surfactants-nonionic

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.26E-015  atm-m3/mole
   Group Method:   6.43E-020  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.354E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.04  (KowWin est)
  Log Kaw used:  -13.034  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.074
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1599
   Biowin2 (Non-Linear Model)     :   0.0548
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4348  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7338  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0909
   Biowin6 (MITI Non-Linear Model):   0.8950
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2357
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000208 Pa (1.56E-006 mm Hg)
  Log Koa (Koawin est  ): 15.074
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0144 
       Octanol/air (Koa) model:  291 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.343 
       Mackay model           :  0.536 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  76.4922 E-12 cm3/molecule-sec
      Half-Life =     0.140 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.678 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.525000 E-17 cm3/molecule-sec
      Half-Life =     2.183 Days (at 7E11 mol/cm3)
      Half-Life =     52.389 Hrs
   Fraction sorbed to airborne particulates (phi): 0.439 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  76.25
      Log Koc:  1.882 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.594E-001  L/mol-sec
  Kb Half-Life at pH 8:      50.311  days   
  Kb Half-Life at pH 7:       1.377  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.870 (BCF = 7.422)
       log Kow used: 2.04 (estimated)

 Volatilization from Water:
    Henry LC:  6.43E-020 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.885E+016  hours   (7.853E+014 days)
    Half-Life from Model Lake : 2.056E+017  hours   (8.567E+015 days)

 Removal In Wastewater Treatment:
    Total removal:               2.28  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.19  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       9.68e-013       3.15         1000       
   Water     22.3            900          1000       
   Soil      77.6            1.8e+003     1000       
   Sediment  0.0903          8.1e+003     0          
     Persistence Time: 1.44e+003 hr

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