ChemSpider 2D Image | 2-Fluoroethyl acrylate | C5H7FO2

2-Fluoroethyl acrylate

  • Molecular FormulaC5H7FO2
  • Average mass118.106 Da
  • Monoisotopic mass118.043007 Da
  • ChemSpider ID2018959

More details:

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

2-Fluorethyl-acrylat [German] [ACD/IUPAC Name]
2-Fluoroethyl acrylate [ACD/IUPAC Name]
2-Propenoic acid, 2-fluoroethyl ester [ACD/Index Name]
Acrylate de 2-fluoroéthyle [French] [ACD/IUPAC Name]
141680-53-7 [RN]
2-Fluoroethyl Acrylate [760-80-5]
2-Fluoroethyl acrylate|2-Fluoroethyl prop-2-enoate
2-Fluoroethyl prop-2-enoate
2-Fluoro-N-(4-hydroxy-phenyl)-N-methyl-benzenesulfonamide
3-Chloro-5-(trifluoromethyl)pyridine-2-thiol,tech
More...

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

MFCD00042287 [DBID]
ZINC02584299 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 123.4±10.0 °C at 760 mmHg
    Vapour Pressure: 13.3±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 36.1±3.0 kJ/mol
    Flash Point: 28.6±13.9 °C
    Index of Refraction: 1.383
    Molar Refractivity: 26.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.77
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 2.95
    ACD/KOC (pH 5.5): 75.58
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.95
    ACD/KOC (pH 7.4): 75.58
    Polar Surface Area: 26 Å2
    Polarizability: 10.7±0.5 10-24cm3
    Surface Tension: 23.8±3.0 dyne/cm
    Molar Volume: 115.1±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) =  1.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  102.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -69.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  33.1  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.043e+004
       log Kow used: 1.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6633.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.44E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.932E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.16  (KowWin est)
  Log Kaw used:  -2.001  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.161
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8655
   Biowin2 (Non-Linear Model)     :   0.9956
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0784  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9063  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8393
   Biowin6 (MITI Non-Linear Model):   0.1853
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8393
 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):  4.19E+003 Pa (31.4 mm Hg)
  Log Koa (Koawin est  ): 3.161
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.17E-010 
       Octanol/air (Koa) model:  3.56E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.59E-008 
       Mackay model           :  5.73E-008 
       Octanol/air (Koa) model:  2.85E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.2246 E-12 cm3/molecule-sec
      Half-Life =     1.046 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.553 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 4.16E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  21.85
      Log Koc:  1.339 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  8.226E-002  L/mol-sec
  Kb Half-Life at pH 8:      97.517  days   
  Kb Half-Life at pH 7:       2.670  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.193 (BCF = 1.559)
       log Kow used: 1.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.000244 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.717  hours
    Half-Life from Model Lake :      131.7  hours   (5.486 days)

 Removal In Wastewater Treatment:
    Total removal:              12.10  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.65  percent
    Total to Air:               10.36  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.93            21.6         1000       
   Water     47.6            360          1000       
   Soil      44.4            720          1000       
   Sediment  0.099           3.24e+003    0          
     Persistence Time: 194 hr

    Click to predict properties on the Chemicalize site


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