ChemSpider 2D Image | Sulfur hexafluoride | F6S

Sulfur hexafluoride

  • Molecular FormulaF6S
  • Average mass146.055 Da
  • Monoisotopic mass145.962494 Da
  • ChemSpider ID16425

More details:






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

BRI
hexafluoridosulfur
hexafluoro-l6-sulfane
Hexafluoro-λ6-sulfane [ACD/IUPAC Name]
Hexafluoro-λ6-sulfane [French] [ACD/IUPAC Name]
Hexafluorure de soufre [French]
Hexafluor-λ6-sulfan [German] [ACD/IUPAC Name]
SonoVue
Sulfur hexafluoride [Wiki]
sulfur(6+) fluoride
More...

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

295701_ALDRICH [DBID]
CHEBI:30496 [DBID]
HSDB 825 [DBID]
UN1080 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.68
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: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.64
    Log Kow (Exper. database match) =  1.68
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  473.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  101.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.28E-007  (Modified Grain method)
    MP  (exp database):  -50.8 deg C
    VP  (exp database):  9.03E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2901
       log Kow used: 1.68 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  31 mg/L (25 deg C)
        Exper. Ref:  GIARDINO,NJ ET AL. (1988)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29223 mg/L
    Wat Sol (Exper. database match) =  31.00
       Exper. Ref:  GIARDINO,NJ ET AL. (1988)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.08E+000  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 4.52E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.479E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.68  (exp database)
  Log Kaw used:  2.267  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  -0.587
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6780
   Biowin2 (Non-Linear Model)     :   0.7180
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8764  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6370  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3819
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  1.2E+007 Pa (9.03E+004 mm Hg)
  Log Koa (Koawin est  ): -0.587
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.49E-013 
       Octanol/air (Koa) model:  6.35E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9E-012 
       Mackay model           :  1.99E-011 
       Octanol/air (Koa) model:  5.08E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.45E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  84.33
      Log Koc:  1.926 

 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 = 0.594 (BCF = 3.923)
       log Kow used: 1.68 (expkow database)

 Volatilization from Water:
    Henry LC:  4.52 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.233  hours
    Half-Life from Model Lake :      114.8  hours   (4.783 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.94  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.36  percent
    Total to Air:               99.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       46.1            1e+005       1000       
   Water     51.9            360          1000       
   Soil      1.83            720          1000       
   Sediment  0.138           3.24e+003    0          
     Persistence Time: 163 hr


 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.64
    Log Kow (Exper. database match) =  1.68
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  473.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  101.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.28E-007  (Modified Grain method)
    MP  (exp database):  -50.8 deg C
    VP  (exp database):  9.03E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2901
       log Kow used: 1.68 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  31 mg/L (25 deg C)
        Exper. Ref:  GIARDINO,NJ ET AL. (1988)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29223 mg/L
    Wat Sol (Exper. database match) =  31.00
       Exper. Ref:  GIARDINO,NJ ET AL. (1988)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.08E+000  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 4.52E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.479E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.68  (exp database)
  Log Kaw used:  2.267  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  -0.587
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6780
   Biowin2 (Non-Linear Model)     :   0.7180
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8764  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6370  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3819
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  1.2E+007 Pa (9.03E+004 mm Hg)
  Log Koa (Koawin est  ): -0.587
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.49E-013 
       Octanol/air (Koa) model:  6.35E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9E-012 
       Mackay model           :  1.99E-011 
       Octanol/air (Koa) model:  5.08E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.45E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  84.33
      Log Koc:  1.926 

 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 = 0.594 (BCF = 3.923)
       log Kow used: 1.68 (expkow database)

 Volatilization from Water:
    Henry LC:  4.52 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.233  hours
    Half-Life from Model Lake :      114.8  hours   (4.783 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.94  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.36  percent
    Total to Air:               99.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       46.1            1e+005       1000       
   Water     51.9            360          1000       
   Soil      1.83            720          1000       
   Sediment  0.138           3.24e+003    0          
     Persistence Time: 163 hr




                    

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