ChemSpider 2D Image | 237S6ZY9ZF | C24H46O2

237S6ZY9ZF

  • Molecular FormulaC24H46O2
  • Average mass366.621 Da
  • Monoisotopic mass366.349792 Da
  • ChemSpider ID136590

More details:






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

237S6ZY9ZF
256-220-4 [EINECS]
2-Propenoic acid, 2-methyl-, eicosyl ester [ACD/Index Name]
45294-18-6 [RN]
ARACHIDYL METHACRYLATE
Eicosyl methacrylate
icosyl 2-methylprop-2-enoate
Icosyl methacrylate [ACD/IUPAC Name]
Icosylmethacrylat [German] [ACD/IUPAC Name]
Méthacrylate d'icosyle [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 442.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 200.5±8.4 °C
Index of Refraction: 1.454
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 11.44
ACD/LogD (pH 5.5): 10.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 30.8±3.0 dyne/cm
Molar Volume: 423.1±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) =  10.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  402.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  117.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.52E-007  (Modified Grain method)
    Subcooled liquid VP: 7.04E-006 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.301e-006
       log Kow used: 10.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.0097e-006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.16E-002  atm-m3/mole
   Group Method:   1.99E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.556E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.61  (KowWin est)
  Log Kaw used:  0.111  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.499
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8556
   Biowin2 (Non-Linear Model)     :   0.9765
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8275  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8168  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9172
   Biowin6 (MITI Non-Linear Model):   0.9336
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8778
 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):  0.000939 Pa (7.04E-006 mm Hg)
  Log Koa (Koawin est  ): 10.499
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0032 
       Octanol/air (Koa) model:  0.00774 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.103 
       Mackay model           :  0.204 
       Octanol/air (Koa) model:  0.383 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  45.3020 E-12 cm3/molecule-sec
      Half-Life =     0.236 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.833 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 0.154 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.14E+006
      Log Koc:  6.057 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.215E-003  L/mol-sec
  Kb Half-Life at pH 8:      18.080  years  
  Kb Half-Life at pH 7:     180.797  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 10.61 (estimated)

 Volatilization from Water:
    Henry LC:  0.199 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1.96  hours
    Half-Life from Model Lake :      181.9  hours   (7.58 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.162           4.59         1000       
   Water     3.73            360          1000       
   Soil      28.3            720          1000       
   Sediment  67.8            3.24e+003    0          
     Persistence Time: 1.25e+003 hr




                    

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