ChemSpider 2D Image | Sulfur tetrafluoride | F4S

Sulfur tetrafluoride

  • Molecular FormulaF4S
  • Average mass108.059 Da
  • Monoisotopic mass107.965683 Da
  • ChemSpider ID22961

More details:






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

232-013-4 [EINECS]
Sulfur tetrafluoride [Wiki]
Sulfur tetrafluoride [UN2418] [Poison gas]
sulfur(4+) fluoride
sulfur(IV) fluoride
Sulfur, tetrafluoro- [ACD/Index Name]
Tetrafluoro-λ4-sulfane [ACD/IUPAC Name]
Tétrafluoro-λ4-sulfane [French] [ACD/IUPAC Name]
Tetrafluor-λ4-sulfan [German] [ACD/IUPAC Name]
MFCD00040327 [MDL number]
More...

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

84730_FLUKA [DBID]
CHEBI:30495 [DBID]
HSDB 6339 [DBID]
UN2418 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.230
Molar Refractivity: 10.1±0.5 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#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: 0 Å2
Polarizability: 4.0±0.5 10-24cm3
Surface Tension: 10.7±7.0 dyne/cm
Molar Volume: 69.1±7.0 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) =  1.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  473.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  131.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.11E-008  (Modified Grain method)
    Subcooled liquid VP: 1.28E-007 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4333
       log Kow used: 1.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  44756 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.14E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.642E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.65  (KowWin est)
  Log Kaw used:  1.400  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.250
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6961
   Biowin2 (Non-Linear Model)     :   0.8137
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9604  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6918  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4602
   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):  1.71E-005 Pa (1.28E-007 mm Hg)
  Log Koa (Koawin est  ): 0.250
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.176 
       Octanol/air (Koa) model:  4.37E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.864 
       Mackay model           :  0.934 
       Octanol/air (Koa) model:  3.49E-011 

 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): 0.899 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.568 (BCF = 3.697)
       log Kow used: 1.65 (estimated)

 Volatilization from Water:
    Henry LC:  0.614 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.062  hours
    Half-Life from Model Lake :      98.74  hours   (4.114 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.58  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.36  percent
    Total to Air:               99.20  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       41.4            1e+005       1000       
   Water     55.8            360          1000       
   Soil      2.7             720          1000       
   Sediment  0.145           3.24e+003    0          
     Persistence Time: 172 hr




                    

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