ChemSpider 2D Image | Dimethyltin difluoride | C2H6F2Sn

Dimethyltin difluoride

  • Molecular FormulaC2H6F2Sn
  • Average mass186.776 Da
  • Monoisotopic mass187.945953 Da
  • ChemSpider ID69568
  • Charge - Charge


More details:






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

Dimethyltin difluoride
876KMM84C1
Difluor(dimethyl)stannan [German] [ACD/IUPAC Name]
Difluoro(dimethyl)stannane [ACD/IUPAC Name]
Difluoro(diméthyl)stannane [French] [ACD/IUPAC Name]
Difluorodimethylstannane
Dimethyl tin difluoride
Stannane, difluorodimethyl- [ACD/Index Name]
231-141-8 [EINECS]
dimethyltin difluoride C2H6F2Sn, body centered tetragonal
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 407157 [DBID]
NSC407157 [DBID]

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

Density:
Boiling Point: 37.1±23.0 °C at 760 mmHg
Vapour Pressure: 492.3±0.1 mmHg at 25°C
Enthalpy of Vaporization: 27.0±3.0 kJ/mol
Flash Point: -23.8±22.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.35
ACD/KOC (pH 5.5): 874.29
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.35
ACD/KOC (pH 7.4): 874.29
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) =  -1.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  250.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  54.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.023  (Modified Grain method)
    Subcooled liquid VP: 0.0427 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):  1e+006
       log Kow used: -1.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  36475 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.653E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6586
   Biowin2 (Non-Linear Model)     :   0.5882
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7864  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5783  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3244
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6769
 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):  5.69 Pa (0.0427 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.27E-007 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.9E-005 
       Mackay model           :  4.22E-005 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.7200 E-12 cm3/molecule-sec
      Half-Life =     3.932 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    47.188 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.06E-005 (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 = 0.500 (BCF = 3.162)
       log Kow used: -1.68 (estimated)

 Volatilization from Water:
    Henry LC:  5.65E-009 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 1.416E+005  hours   (5898 days)
    Half-Life from Model Lake : 1.544E+006  hours   (6.435E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.131           94.4         1000       
   Water     39.2            360          1000       
   Soil      60.6            720          1000       
   Sediment  0.0717          3.24e+003    0          
     Persistence Time: 571 hr




                    

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