ChemSpider 2D Image | Trimethylolethane trimethacrylate | C17H24O6

Trimethylolethane trimethacrylate

  • Molecular FormulaC17H24O6
  • Average mass324.369 Da
  • Monoisotopic mass324.157288 Da
  • ChemSpider ID81787

More details:

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

246-414-7 [EINECS]
24690-33-3 [RN]
2-Methyl-2-(((2-methyl-1-oxoallyl)oxy)methyl)-1,3-propanediyl bismethacrylate
2-propenoic acid, 2-methyl-, 2-methyl-3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]propyl ester
3-(Methacryloyloxy)-2-[(methacryloyloxy)methyl]-2-methylpropyl methacrylate [ACD/IUPAC Name]
3-(Methacryloyloxy)-2-[(methacryloyloxy)methyl]-2-methylpropylmethacrylat [German] [ACD/IUPAC Name]
Méthacrylate de 3-(méthacryloyloxy)-2-[(méthacryloyloxy)méthyl]-2-méthylpropyle [French] [ACD/IUPAC Name]
Trimethylolethane trimethacrylate
1,1,1-TRIMETHYLOL ETHANE TRIMETHACRYLATE
1,1,1-Trimethylolethane trimethacrylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 408.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 176.0±23.2 °C
Index of Refraction: 1.469
Molar Refractivity: 84.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.73
ACD/KOC (pH 5.5): 1284.98
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.73
ACD/KOC (pH 7.4): 1284.98
Polar Surface Area: 79 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 304.3±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) =  4.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  337.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000262  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.296
       log Kow used: 4.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  30.449 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.74E-009  atm-m3/mole
   Group Method:   1.17E-009  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.393E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.01  (KowWin est)
  Log Kaw used:  -7.148  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.158
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9317
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6908  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.9132  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0330
   Biowin6 (MITI Non-Linear Model):   0.9195
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3360
 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):  0.0349 Pa (0.000262 mm Hg)
  Log Koa (Koawin est  ): 11.158
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.59E-005 
       Octanol/air (Koa) model:  0.0353 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00309 
       Mackay model           :  0.00682 
       Octanol/air (Koa) model:  0.739 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.0596 E-12 cm3/molecule-sec
      Half-Life =     0.178 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.137 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     3.412500 E-17 cm3/molecule-sec
      Half-Life =     0.336 Days (at 7E11 mol/cm3)
      Half-Life =      8.060 Hrs
   Fraction sorbed to airborne particulates (phi): 0.00496 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3792
      Log Koc:  3.579 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.189E-003  L/mol-sec
  Kb Half-Life at pH 8:       6.888  years  
  Kb Half-Life at pH 7:      68.876  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.390 (BCF = 245.7)
       log Kow used: 4.01 (estimated)

 Volatilization from Water:
    Henry LC:  1.17E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 9.013E+005  hours   (3.755E+004 days)
    Half-Life from Model Lake : 9.832E+006  hours   (4.097E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              30.52  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    30.20  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       0.00789         2.79         1000       
   Water     11.3            900          1000       
   Soil      85.9            1.8e+003     1000       
   Sediment  2.74            8.1e+003     0          
     Persistence Time: 1.8e+003 hr

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