ChemSpider 2D Image | 1,12-Dodecanediol dimethacrylate | C20H34O4

1,12-Dodecanediol dimethacrylate

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID152707

More details:

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

1,12-Dodecandiyl-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
1,12-Dodecanediol dimethacrylate
1,12-Dodecanediyl bis(2-methylacrylate) [ACD/IUPAC Name]
276-900-4 [EINECS]
2-Propenoic acid, 2-methyl-, 1,12-dodecanediyl ester [ACD/Index Name]
72829-09-5 [RN]
Bis(2-méthylacrylate) de 1,12-dodécanediyle [French] [ACD/IUPAC Name]
Dodecane-1,12-diyl bis(2-methylacrylate)
1,12-dodecanediyl bismethacrylate
1,12-Dodecyl Dimethacrylate
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 415.7±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 194.7±19.6 °C
    Index of Refraction: 1.460
    Molar Refractivity: 97.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 1
    ACD/LogP: 7.25
    ACD/LogD (pH 5.5): 6.28
    ACD/BCF (pH 5.5): 34927.16
    ACD/KOC (pH 5.5): 62169.88
    ACD/LogD (pH 7.4): 6.28
    ACD/BCF (pH 7.4): 34927.16
    ACD/KOC (pH 7.4): 62169.88
    Polar Surface Area: 53 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 32.4±3.0 dyne/cm
    Molar Volume: 355.4±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) =  7.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  361.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.87E-005  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.00604
       log Kow used: 7.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.014339 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.43E-006  atm-m3/mole
   Group Method:   1.17E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.066E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.12  (KowWin est)
  Log Kaw used:  -3.580  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.700
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9348
   Biowin2 (Non-Linear Model)     :   0.9983
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7316  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8173  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0112
   Biowin6 (MITI Non-Linear Model):   0.9504
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0384
 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):  0.00916 Pa (6.87E-005 mm Hg)
  Log Koa (Koawin est  ): 10.700
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000328 
       Octanol/air (Koa) model:  0.0123 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0117 
       Mackay model           :  0.0255 
       Octanol/air (Koa) model:  0.496 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  54.0587 E-12 cm3/molecule-sec
      Half-Life =     0.198 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.374 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): 0.0186 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.237E+004
      Log Koc:  4.092 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.430E-003  L/mol-sec
  Kb Half-Life at pH 8:       9.040  years  
  Kb Half-Life at pH 7:      90.399  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.146 (BCF = 1399)
       log Kow used: 7.12 (estimated)

 Volatilization from Water:
    Henry LC:  1.17E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      93.94  hours   (3.914 days)
    Half-Life from Model Lake :       1179  hours   (49.13 days)

 Removal In Wastewater Treatment:
    Total removal:              93.89  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.11  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       0.0515          3.41         1000       
   Water     2.09            900          1000       
   Soil      28.7            1.8e+003     1000       
   Sediment  69.2            8.1e+003     0          
     Persistence Time: 3.03e+003 hr

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