ChemSpider 2D Image | OFPMA | C9H8F8O2

OFPMA

  • Molecular FormulaC9H8F8O2
  • Average mass300.146 Da
  • Monoisotopic mass300.039642 Da
  • ChemSpider ID61058

More details:






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

2,2,3,3,4,4,5,5-Octafluoropentyl methacrylate [ACD/IUPAC Name]
2,2,3,3,4,4,5,5-Octafluorpentylmethacrylat [German] [ACD/IUPAC Name]
206-596-0 [EINECS]
2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester [ACD/Index Name]
355-93-1 [RN]
Méthacrylate de 2,2,3,3,4,4,5,5-octafluoropentyle [French] [ACD/IUPAC Name]
OCTAFLUOROPENTYL METHACRYLATE
OFPMA
[355-93-1]
1,1,5-Trihydroperfluoroamyl methacrylate
More...

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

MFCD00039278 [DBID]
N49428401J [DBID]
470988_ALDRICH [DBID]
UNII:N49428401J [DBID]
UNII-N49428401J [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 191.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.7±3.0 kJ/mol
Flash Point: 67.9±22.2 °C
Index of Refraction: 1.342
Molar Refractivity: 46.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.11
ACD/KOC (pH 5.5): 1806.95
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.11
ACD/KOC (pH 7.4): 1806.95
Polar Surface Area: 26 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 19.1±3.0 dyne/cm
Molar Volume: 219.6±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) =  4.47

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  112.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -53.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  21.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.857
       log Kow used: 4.47 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.44988 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.10E-001  atm-m3/mole
   Group Method:   1.90E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.572E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.47  (KowWin est)
  Log Kaw used:  0.653  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.817
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2270
   Biowin2 (Non-Linear Model)     :   0.0876
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0397  (months      )
   Biowin4 (Primary Survey Model) :   3.1833  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5163
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3612
 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):  2.69E+003 Pa (20.2 mm Hg)
  Log Koa (Koawin est  ): 3.817
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.11E-009 
       Octanol/air (Koa) model:  1.61E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.02E-008 
       Mackay model           :  8.91E-008 
       Octanol/air (Koa) model:  1.29E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.1532 E-12 cm3/molecule-sec
      Half-Life =     0.589 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.070 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): 6.47E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5154
      Log Koc:  3.712 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.063E-003  L/mol-sec
  Kb Half-Life at pH 8:      20.663  years  
  Kb Half-Life at pH 7:     206.629  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.744 (BCF = 554.3)
       log Kow used: 4.47 (estimated)

 Volatilization from Water:
    Henry LC:  0.019 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.821  hours
    Half-Life from Model Lake :      165.1  hours   (6.881 days)

 Removal In Wastewater Treatment:
    Total removal:              91.66  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    36.28  percent
    Total to Air:               55.21  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.983           8.92         1000       
   Water     10.2            1.44e+003    1000       
   Soil      79.5            2.88e+003    1000       
   Sediment  9.38            1.3e+004     0          
     Persistence Time: 826 hr




                    

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