ChemSpider 2D Image | MFCD00192541 | C19H32O8

MFCD00192541

  • Molecular FormulaC19H32O8
  • Average mass388.453 Da
  • Monoisotopic mass388.209717 Da
  • ChemSpider ID3719572

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

2-(2-{[2-(Acryloyloxy)ethoxy]methyl}-2-[(2-methoxyethoxy)methyl]butoxy)ethyl acrylate [ACD/IUPAC Name]
2-(2-{[2-(Acryloyloxy)ethoxy]methyl}-2-[(2-methoxyethoxy)methyl]butoxy)ethyl-acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, [2-ethyl-2-[(2-methoxyethoxy)methyl]-1,3-propanediyl]bis(oxy-2,1-ethanediyl) ester [ACD/Index Name]
302911-84-8 [RN]
Acrylate de 2-(2-{[2-(acryloyloxy)éthoxy]méthyl}-2-[(2-méthoxyéthoxy)méthyl]butoxy)éthyle [French] [ACD/IUPAC Name]
MFCD00192541
TRIMETHYLOLPROPANE ETHOXYLATE (1EO/OH)
2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl Prop-2-enoate
2-{2-[(2-METHOXYETHOXY)METHYL]-2-{[2-(PROP-2-ENOYLOXY)ETHOXY]METHYL}BUTOXY}ETHYL PROP-2-ENOATE
Trimethylolpropane ethoxylate (1 EO/OH) methyl ether diacrylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

415871_ALDRICH [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 192.9±28.8 °C
Index of Refraction: 1.461
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.31
ACD/KOC (pH 5.5): 197.54
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.31
ACD/KOC (pH 7.4): 197.54
Polar Surface Area: 90 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 364.8±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) =  1.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  393.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  83.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.31E-006  (Modified Grain method)
    Subcooled liquid VP: 1.21E-005 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):  239.8
       log Kow used: 1.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6477.4 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 :   2.10E-014  atm-m3/mole
   Group Method:   6.89E-019  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.055E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.38  (KowWin est)
  Log Kaw used:  -12.066  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.446
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.6624
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3743  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5528  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8495
   Biowin6 (MITI Non-Linear Model):   0.6635
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5238
 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):  0.00161 Pa (1.21E-005 mm Hg)
  Log Koa (Koawin est  ): 13.446
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00186 
       Octanol/air (Koa) model:  6.85 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0629 
       Mackay model           :  0.129 
       Octanol/air (Koa) model:  0.998 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.2865 E-12 cm3/molecule-sec
      Half-Life =     0.146 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.751 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec
      Half-Life =     3.274 Days (at 7E11 mol/cm3)
      Half-Life =     78.583 Hrs
   Fraction sorbed to airborne particulates (phi): 0.0962 (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 :  1.063E-001  L/mol-sec
  Kb Half-Life at pH 8:      75.466  days   
  Kb Half-Life at pH 7:       2.066  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.362 (BCF = 2.3)
       log Kow used: 1.38 (estimated)

 Volatilization from Water:
    Henry LC:  6.89E-019 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.675E+015  hours   (6.978E+013 days)
    Half-Life from Model Lake : 1.827E+016  hours   (7.613E+014 days)

 Removal In Wastewater Treatment:
    Total removal:               1.94  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.85  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       8.77e-012       3.35         1000       
   Water     35.1            900          1000       
   Soil      64.8            1.8e+003     1000       
   Sediment  0.0836          8.1e+003     0          
     Persistence Time: 1.15e+003 hr




                    

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