Found 15 results

Search term: MF = 'C_{13}H_{18}Br_{2}O_{4}'
ChemSpider 2D Image | 2,2-Bis(bromomethyl)-1,3-propanediyl bis(2-methylacrylate) | C13H18Br2O4

2,2-Bis(bromomethyl)-1,3-propanediyl bis(2-methylacrylate)

  • Molecular FormulaC13H18Br2O4
  • Average mass398.088 Da
  • Monoisotopic mass395.957184 Da
  • ChemSpider ID14927669

More details:

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

2,2-Bis(brommethyl)-1,3-propandiyl-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
2,2-Bis(bromomethyl)-1,3-propanediyl bis(2-methylacrylate) [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, 2,2-bis(bromomethyl)-1,3-propanediyl ester [ACD/Index Name]
Bis(2-méthylacrylate) de 2,2-bis(bromométhyl)-1,3-propanediyle [French] [ACD/IUPAC Name]
2,2-DIBROMONEOPENTYL GLYCOL DIMETHACRYLATE
2,2-DIBROMONEOPENTYLGLYCOLDIMETHACRYLATE
2,2-DIBROMONEPENTYL GLYCOL DIMETHACRYLATE
3-BROMO-2-(BROMOMETHYL)-2-{[(2-METHYLPROP-2-ENOYL)OXY]METHYL}PROPYL 2-METHYLPROP-2-ENOATE
55205-34-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 432.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.2±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 935.73
ACD/KOC (pH 5.5): 4659.62
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 935.73
ACD/KOC (pH 7.4): 4659.62
Polar Surface Area: 53 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 266.3±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) =  4.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  344.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00018  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.727
       log Kow used: 4.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.4285 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.18E-008  atm-m3/mole
   Group Method:   4.55E-010  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.297E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.26  (KowWin est)
  Log Kaw used:  -6.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.577
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6301
   Biowin2 (Non-Linear Model)     :   0.0061
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4456  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6486  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6996
   Biowin6 (MITI Non-Linear Model):   0.0513
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2144
 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):  0.024 Pa (0.00018 mm Hg)
  Log Koa (Koawin est  ): 10.577
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000125 
       Octanol/air (Koa) model:  0.00927 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00449 
       Mackay model           :  0.0099 
       Octanol/air (Koa) model:  0.426 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.5716 E-12 cm3/molecule-sec
      Half-Life =     0.264 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.164 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): 0.0072 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  469.7
      Log Koc:  2.672 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.126E-003  L/mol-sec
  Kb Half-Life at pH 8:      10.331  years  
  Kb Half-Life at pH 7:     103.315  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.579 (BCF = 379)
       log Kow used: 4.26 (estimated)

 Volatilization from Water:
    Henry LC:  4.55E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.567E+006  hours   (1.07E+005 days)
    Half-Life from Model Lake : 2.801E+007  hours   (1.167E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              43.12  percent
    Total biodegradation:        0.42  percent
    Total sludge adsorption:    42.69  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       0.00317         4.15         1000       
   Water     10.6            900          1000       
   Soil      84.8            1.8e+003     1000       
   Sediment  4.6             8.1e+003     0          
     Persistence Time: 1.9e+003 hr

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