ChemSpider 2D Image | (~18~F)Fluoro(iodo)methane | CH218FI

(18F)Fluoro(iodo)methane

  • Molecular FormulaCH218FI
  • Average mass158.932 Da
  • Monoisotopic mass158.921051 Da
  • ChemSpider ID397549

  • Non-standard isotope - Non-standard isotope

More details:

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

(18F)Fluor(iod)methan [German] [ACD/IUPAC Name]
(18F)Fluoro(iodo)methane [ACD/IUPAC Name]
(18F)Fluoro(iodo)méthane [French] [ACD/IUPAC Name]
Methane, fluoro-18Fiodo- [ACD/Index Name]

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

MOLI001924 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.484
Molar Refractivity: 19.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 7.9±0.5 10-24cm3
Surface Tension: 25.3±3.0 dyne/cm
Molar Volume: 69.3±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) =  1.53

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  66.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -94.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  270  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  53.4 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3370
       log Kow used: 1.53 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4795.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.09E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.686E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.53  (KowWin est)
  Log Kaw used:  -0.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.881
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6714
   Biowin2 (Non-Linear Model)     :   0.6765
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8457  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6170  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3031
   Biowin6 (MITI Non-Linear Model):   0.0035
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8621
 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):  3.56E+004 Pa (267 mm Hg)
  Log Koa (Koawin est  ): 1.881
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.43E-011 
       Octanol/air (Koa) model:  1.87E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.04E-009 
       Mackay model           :  6.74E-009 
       Octanol/air (Koa) model:  1.49E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0465 E-12 cm3/molecule-sec
      Half-Life =   229.864 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.89E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.239E-006  L/mol-sec
  Kb Half-Life at pH 8: 1.773E+004  years  
  Kb Half-Life at pH 7: 1.773E+005  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.479 (BCF = 3.015)
       log Kow used: 1.53 (estimated)

 Volatilization from Water:
    Henry LC:  0.0109 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.358  hours
    Half-Life from Model Lake :      120.9  hours   (5.036 days)

 Removal In Wastewater Treatment:
    Total removal:              81.07  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.63  percent
    Total to Air:               80.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       54.1            5.52e+003    1000       
   Water     42.2            360          1000       
   Soil      3.59            720          1000       
   Sediment  0.102           3.24e+003    0          
     Persistence Time: 148 hr

Click to predict properties on the Chemicalize site


Advertisement