ChemSpider 2D Image | MFCD00039797 | C8H22SSi2

MFCD00039797

  • Molecular FormulaC8H22SSi2
  • Average mass206.496 Da
  • Monoisotopic mass206.098068 Da
  • ChemSpider ID121955

More details:

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

(Sulfandiyldimethylen)bis(trimethylsilan) [German] [ACD/IUPAC Name]
(Sulfanediyldiméthylène)bis(triméthylsilane) [French] [ACD/IUPAC Name]
[Sulfanediylbis(methylene)]bis(trimethylsilane) [ACD/IUPAC Name]
4712-51-0 [RN]
BIS(TRIMETHYLSILYLMETHYL) SULFIDE
Bis[(trimethylsilyl)methyl] sulfide
MFCD00039797
Silane, 1,1'-[thiobis(methylene)]bis[1,1,1-trimethyl- [ACD/Index Name]
Thiobis(methylene)bis(trimethylsilane)
trimethyl({[(trimethylsilyl)methyl]sulfanyl}methyl)silane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

15264_FLUKA [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 203.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.2±3.0 kJ/mol
Flash Point: 77.0±23.2 °C
Index of Refraction: 1.438
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6207.00
ACD/KOC (pH 5.5): 18052.46
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6207.00
ACD/KOC (pH 7.4): 18052.46
Polar Surface Area: 25 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 19.9±3.0 dyne/cm
Molar Volume: 246.0±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) =  4.69

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  174.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -36.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.25  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.993
       log Kow used: 4.69 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.004934 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.08E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.506E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.69  (KowWin est)
  Log Kaw used:  -0.538  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.228
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6492
   Biowin2 (Non-Linear Model)     :   0.5191
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7428  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5498  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1991
   Biowin6 (MITI Non-Linear Model):   0.0787
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4106
 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):  151 Pa (1.13 mm Hg)
  Log Koa (Koawin est  ): 5.228
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.99E-008 
       Octanol/air (Koa) model:  4.15E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.19E-007 
       Mackay model           :  1.59E-006 
       Octanol/air (Koa) model:  3.32E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.6250 E-12 cm3/molecule-sec
      Half-Life =     0.574 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.891 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 1.16E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1338
      Log Koc:  3.126 

 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 = 2.912 (BCF = 817.1)
       log Kow used: 4.69 (estimated)

 Volatilization from Water:
    Henry LC:  0.00708 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.585  hours
    Half-Life from Model Lake :      137.8  hours   (5.741 days)

 Removal In Wastewater Treatment:
    Total removal:              85.32  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    50.30  percent
    Total to Air:               34.70  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.01            13.8         1000       
   Water     8.51            900          1000       
   Soil      80.7            1.8e+003     1000       
   Sediment  9.81            8.1e+003     0          
     Persistence Time: 928 hr

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