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Search term: MF = 'C_{6}H_{9}F'
ChemSpider 2D Image | 1-(1-Fluorovinyl)-1-methylcyclopropane | C6H9F

1-(1-Fluorovinyl)-1-methylcyclopropane

  • Molecular FormulaC6H9F
  • Average mass100.134 Da
  • Monoisotopic mass100.068825 Da
  • ChemSpider ID9392286

More details:

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

1-(1-Fluorovinyl)-1-methylcyclopropane [ACD/IUPAC Name]
1-(1-Fluorovinyl)-1-méthylcyclopropane [French] [ACD/IUPAC Name]
1-(1-Fluorvinyl)-1-methylcyclopropan [German] [ACD/IUPAC Name]
Cyclopropane, 1-(1-fluoroethenyl)-1-methyl- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 66.6±9.0 °C at 760 mmHg
Vapour Pressure: 162.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.6±3.0 kJ/mol
Flash Point: -3.2±11.9 °C
Index of Refraction: 1.429
Molar Refractivity: 27.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.19
ACD/KOC (pH 5.5): 532.45
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.19
ACD/KOC (pH 7.4): 532.45
Polar Surface Area: 0 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 22.6±3.0 dyne/cm
Molar Volume: 106.1±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) =  2.98

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  56.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -84.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  243  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  331.5
       log Kow used: 2.98 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  616.78 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.91E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.659E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.98  (KowWin est)
  Log Kaw used:  0.893  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.087
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5159
   Biowin2 (Non-Linear Model)     :   0.4659
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7658  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5498  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5515
   Biowin6 (MITI Non-Linear Model):   0.0322
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0352
 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):  3.2E+004 Pa (240 mm Hg)
  Log Koa (Koawin est  ): 2.087
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.38E-011 
       Octanol/air (Koa) model:  3E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.39E-009 
       Mackay model           :  7.5E-009 
       Octanol/air (Koa) model:  2.4E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.0178 E-12 cm3/molecule-sec
      Half-Life =     0.971 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.649 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.070000 E-17 cm3/molecule-sec
      Half-Life =    16.371 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 5.44E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  198.9
      Log Koc:  2.299 

 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 = 1.597 (BCF = 39.5)
       log Kow used: 2.98 (estimated)

 Volatilization from Water:
    Henry LC:  0.191 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.024  hours
    Half-Life from Model Lake :      95.08  hours   (3.962 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.68  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     2.46  percent
    Total to Air:               96.20  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       22.6            22           1000       
   Water     70.8            360          1000       
   Soil      5.48            720          1000       
   Sediment  1.14            3.24e+003    0          
     Persistence Time: 86.9 hr

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