ChemSpider 2D Image | Cyclohexane-1,4-dimethanol, dimethacrylate | C16H24O4

Cyclohexane-1,4-dimethanol, dimethacrylate

  • Molecular FormulaC16H24O4
  • Average mass280.359 Da
  • Monoisotopic mass280.167450 Da
  • ChemSpider ID93623

More details:

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

1,4-Cyclohexandiyldimethylen-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
1,4-Cyclohexanediylbis(methylene) bis(2-methylacrylate) [ACD/IUPAC Name]
258-239-3 [EINECS]
2-Propenoic acid, 2-methyl-, 1,4-cyclohexanediylbis(methylene) ester [ACD/Index Name]
52892-97-4 [RN]
Bis(2-méthylacrylate) de 1,4-cyclohexanediyldiméthylène [French] [ACD/IUPAC Name]
Cyclohexane-1,4-dimethanol, dimethacrylate
(4-{[(2-METHYLPROP-2-ENOYL)OXY]METHYL}CYCLOHEXYL)METHYL 2-METHYLPROP-2-ENOATE
[4-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
1,4-CYCLOHEXANEDIMETHYL 1,4-DIMETHACRYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 363.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 172.3±18.8 °C
Index of Refraction: 1.466
Molar Refractivity: 76.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1121.47
ACD/KOC (pH 5.5): 5304.41
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1121.47
ACD/KOC (pH 7.4): 5304.41
Polar Surface Area: 53 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 277.4±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) =  4.90

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  314.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -3.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000891  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.051
       log Kow used: 4.90 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.602 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.13E-007  atm-m3/mole
   Group Method:   4.88E-007  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.127E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.90  (KowWin est)
  Log Kaw used:  -4.428  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.328
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9624
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8600  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9012  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7937
   Biowin6 (MITI Non-Linear Model):   0.7356
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3774
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.119 Pa (0.000891 mm Hg)
  Log Koa (Koawin est  ): 9.328
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.53E-005 
       Octanol/air (Koa) model:  0.000522 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000911 
       Mackay model           :  0.00202 
       Octanol/air (Koa) model:  0.0401 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  52.8006 E-12 cm3/molecule-sec
      Half-Life =     0.203 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.431 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): 0.00146 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1005
      Log Koc:  3.002 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.605E-003  L/mol-sec
  Kb Half-Life at pH 8:       6.092  years  
  Kb Half-Life at pH 7:      60.920  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.070 (BCF = 1175)
       log Kow used: 4.90 (estimated)

 Volatilization from Water:
    Henry LC:  4.88E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2011  hours   (83.78 days)
    Half-Life from Model Lake : 2.207E+004  hours   (919.8 days)

 Removal In Wastewater Treatment:
    Total removal:              74.29  percent
    Total biodegradation:        0.65  percent
    Total sludge adsorption:    73.63  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.276           3.47         1000       
   Water     19              360          1000       
   Soil      63.2            720          1000       
   Sediment  17.5            3.24e+003    0          
     Persistence Time: 560 hr

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