ChemSpider 2D Image | Fluorocyclopentane | C5H9F

Fluorocyclopentane

  • Molecular FormulaC5H9F
  • Average mass88.123 Da
  • Monoisotopic mass88.068825 Da
  • ChemSpider ID120737

More details:

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

1481-36-3 [RN]
Cyclopentane, fluoro- [ACD/Index Name]
Fluorcyclopentan [German] [ACD/IUPAC Name]
Fluorocyclopentane [ACD/IUPAC Name]
Fluorocyclopentane [French] [ACD/IUPAC Name]
[1481-36-3] [RN]
MFCD08059532 [MDL number]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 68.8±9.0 °C at 760 mmHg
Vapour Pressure: 149.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.8±3.0 kJ/mol
Flash Point: -14.5±11.9 °C
Index of Refraction: 1.391
Molar Refractivity: 23.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.67
ACD/KOC (pH 5.5): 412.87
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.67
ACD/KOC (pH 7.4): 412.87
Polar Surface Area: 0 Å2
Polarizability: 9.2±0.5 10-24cm3
Surface Tension: 20.3±5.0 dyne/cm
Molar Volume: 97.9±5.0 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) =  2.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  57.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -97.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  230  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  832.5
       log Kow used: 2.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1529.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.25E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.204E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.55  (KowWin est)
  Log Kaw used:  -0.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.586
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7056
   Biowin2 (Non-Linear Model)     :   0.8529
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0044  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7206  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5587
   Biowin6 (MITI Non-Linear Model):   0.0396
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3955
 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):  3.03E+004 Pa (227 mm Hg)
  Log Koa (Koawin est  ): 2.586
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.91E-011 
       Octanol/air (Koa) model:  9.46E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.58E-009 
       Mackay model           :  7.93E-009 
       Octanol/air (Koa) model:  7.57E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.2941 E-12 cm3/molecule-sec
      Half-Life =     4.662 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    55.949 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.75E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  145.3
      Log Koc:  2.162 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.020E-019  L/mol-sec
  Kb Half-Life at pH 8: 2.154E+017  years  
  Kb Half-Life at pH 7: 2.154E+018  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.265 (BCF = 18.4)
       log Kow used: 2.55 (estimated)

 Volatilization from Water:
    Henry LC:  0.0225 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.9824  hours   (58.94 min)
    Half-Life from Model Lake :      89.43  hours   (3.726 days)

 Removal In Wastewater Treatment:
    Total removal:              89.81  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     1.29  percent
    Total to Air:               88.50  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       39.5            112          1000       
   Water     49.2            360          1000       
   Soil      11              720          1000       
   Sediment  0.371           3.24e+003    0          
     Persistence Time: 126 hr

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