ChemSpider 2D Image | TMPTMA | C18H26O6

TMPTMA

  • Molecular FormulaC18H26O6
  • Average mass338.395 Da
  • Monoisotopic mass338.172943 Da
  • ChemSpider ID17649

More details:






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

1,1,1-Trimethylolpropane trimethacrylate
2,2-bis(hydroxymethyl)butanol trimethacrylate
2,2-Bis(methacryloyloxymethyl)butyl methacrylate
2,2-Bis[(methacryloyloxy)methyl]butyl methacrylate [ACD/IUPAC Name]
2,2-Bis[(methacryloyloxy)methyl]butylmethacrylat [German] [ACD/IUPAC Name]
2,2-bis{[(2-methylacryloyl)oxy]methyl}butyl 2-methylprop-2-enoate
2,2-bis{[(2-methylacryloyl)oxy]methyl}butyl 2-methylprop-2-enoate (non-preferred name)
221-950-4 [EINECS]
2-propenoic acid, 2-methyl-, 2,2-bis[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]butyl ester
2-Propenoic acid, 2-methyl-, 2-ethyl-2-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
More...

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

S734UC120F [DBID]
246840_ALDRICH [DBID]
ATM 11 [DBID]
BRN 5961805 [DBID]
C14538 [DBID]
CCRIS 530 [DBID]
NSC 84261 [DBID]
NSC84261 [DBID]
Saret 515 [DBID]
SR 350 [DBID]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 422.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 181.4±23.2 °C
Index of Refraction: 1.470
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.47
ACD/KOC (pH 5.5): 1997.00
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.47
ACD/KOC (pH 7.4): 1997.00
Polar Surface Area: 79 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 320.8±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) =  4.50
    Log Kow (Exper. database match) =  4.39
       Exper. Ref:  Chem Inspect Test Inst (1992)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  349.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000137  (Modified Grain method)
    MP  (exp database):  <-10 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.297
       log Kow used: 4.39 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  13 mg/L (25 deg C)
        Exper. Ref:  CHEM INSPECT TEST INST (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.2245 mg/L
    Wat Sol (Exper. database match) =  13.00
       Exper. Ref:  CHEM INSPECT TEST INST (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.31E-009  atm-m3/mole
   Group Method:   1.65E-009  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.703E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.39  (exp database)
  Log Kaw used:  -7.025  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.415
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9251
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6599  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8929  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0407
   Biowin6 (MITI Non-Linear Model):   0.9213
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3619
 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):  0.0183 Pa (0.000137 mm Hg)
  Log Koa (Koawin est  ): 11.415
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000164 
       Octanol/air (Koa) model:  0.0638 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0059 
       Mackay model           :  0.013 
       Octanol/air (Koa) model:  0.836 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.2084 E-12 cm3/molecule-sec
      Half-Life =     0.175 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.097 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): 0.00943 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  7533
      Log Koc:  3.877 

 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 = 2.680 (BCF = 479)
       log Kow used: 4.39 (expkow database)

 Volatilization from Water:
    Henry LC:  1.65E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 6.527E+005  hours   (2.72E+004 days)
    Half-Life from Model Lake : 7.121E+006  hours   (2.967E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              50.14  percent
    Total biodegradation:        0.48  percent
    Total sludge adsorption:    49.66  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       0.0104          2.76         1000       
   Water     10.8            900          1000       
   Soil      82.9            1.8e+003     1000       
   Sediment  6.3             8.1e+003     0          
     Persistence Time: 1.84e+003 hr




                    

Click to predict properties on the Chemicalize site






Advertisement