ChemSpider 2D Image | 2-Fluoropropene | C3H5F

2-Fluoropropene

  • Molecular FormulaC3H5F
  • Average mass60.070 Da
  • Monoisotopic mass60.037529 Da
  • ChemSpider ID64062

More details:

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

1184-60-7 [RN]
1-Propene, 2-fluoro- [ACD/Index Name]
214-669-3 [EINECS]
2-Fluor-1-propen [German] [ACD/IUPAC Name]
2-Fluoro-1-propene [ACD/IUPAC Name]
2-Fluoro-1-propène [French] [ACD/IUPAC Name]
2-fluoroprop-1-ene
2-Fluoropropene
"1-PROPENE, 2-FLUORO-"
Isopropenyl fluoride
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.1 g/cm3
Boiling Point: -24.0±0.0 °C at 760 mmHg
Vapour Pressure: 4008.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 21.9±3.0 kJ/mol
Flash Point: -62.3±11.9 °C
Index of Refraction: 1.323
Molar Refractivity: 15.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 177.48
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.74
ACD/KOC (pH 7.4): 177.48
Polar Surface Area: 0 Å2
Polarizability: 6.2±0.5 10-24cm3
Surface Tension: 12.1±3.0 dyne/cm
Molar Volume: 78.4±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) =  1.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -14.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -143.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.76E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  -24 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4545
       log Kow used: 1.73 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6415.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.85E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.322E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.73  (KowWin est)
  Log Kaw used:  0.879  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.851
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7189
   Biowin2 (Non-Linear Model)     :   0.8962
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0664  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7611  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5636
   Biowin6 (MITI Non-Linear Model):   0.0423
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6095
 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):  4.68E+005 Pa (3.51E+003 mm Hg)
  Log Koa (Koawin est  ): 0.851
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.41E-012 
       Octanol/air (Koa) model:  1.74E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.32E-010 
       Mackay model           :  5.13E-010 
       Octanol/air (Koa) model:  1.39E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.9300 E-12 cm3/molecule-sec
      Half-Life =     0.979 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.743 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.455000 E-17 cm3/molecule-sec
      Half-Life =     2.519 Days (at 7E11 mol/cm3)
      Half-Life =     60.448 Hrs
   Fraction sorbed to airborne particulates (phi): 3.72E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.634 (BCF = 4.308)
       log Kow used: 1.73 (estimated)

 Volatilization from Water:
    Henry LC:  0.185 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.7933  hours   (47.60 min)
    Half-Life from Model Lake :      73.64  hours   (3.068 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.62  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.39  percent
    Total to Air:               98.21  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       20.4            16.9         1000       
   Water     78.1            360          1000       
   Soil      1.31            720          1000       
   Sediment  0.215           3.24e+003    0          
     Persistence Time: 78.8 hr

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