ChemSpider 2D Image | 5240407 | C14H31ClSi

5240407

  • Molecular FormulaC14H31ClSi
  • Average mass262.934 Da
  • Monoisotopic mass262.188354 Da
  • ChemSpider ID2039488

More details:






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

1-chlorododecyl-dimethyl-silicon
266-421-9 [EINECS]
5240407
66604-31-7 [RN]
Chlor(dodecyl)dimethylsilan [German] [ACD/IUPAC Name]
Chloro(dodecyl)dimethylsilane [ACD/IUPAC Name]
Chloro(dodécyl)diméthylsilane [French] [ACD/IUPAC Name]
Chloro-dimethyl-dodecylsilane
dimethyldodecylchlorosilane
dimethyldodecyl-chlorosilane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

40242_FLUKA [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 292.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 143.2±8.8 °C
Index of Refraction: 1.438
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 730941.38
ACD/LogD (pH 7.4): 8.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 730941.38
Polar Surface Area: 0 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 25.1±3.0 dyne/cm
Molar Volume: 306.8±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) =  7.88

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  268.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00965  (Modified Grain method)
    Subcooled liquid VP: 0.0102 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):  0.003707
       log Kow used: 7.88 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00013361 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.44E+000  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.006E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.88  (KowWin est)
  Log Kaw used:  1.770  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.110
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7308
   Biowin2 (Non-Linear Model)     :   0.7537
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9164  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7374  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4747
   Biowin6 (MITI Non-Linear Model):   0.4299
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5655
 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):  1.36 Pa (0.0102 mm Hg)
  Log Koa (Koawin est  ): 6.110
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.21E-006 
       Octanol/air (Koa) model:  3.16E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.97E-005 
       Mackay model           :  0.000176 
       Octanol/air (Koa) model:  2.53E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.5964 E-12 cm3/molecule-sec
      Half-Life =     0.686 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.230 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000128 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.402E+004
      Log Koc:  4.644 

 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 = 2.099 (BCF = 125.7)
       log Kow used: 7.88 (estimated)

 Volatilization from Water:
    Henry LC:  1.44 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.655  hours
    Half-Life from Model Lake :        154  hours   (6.418 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.57  percent
    Total biodegradation:        0.62  percent
    Total sludge adsorption:    84.54  percent
    Total to Air:               10.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.528           16.5         1000       
   Water     3.79            360          1000       
   Soil      28              720          1000       
   Sediment  67.7            3.24e+003    0          
     Persistence Time: 1.23e+003 hr




                    

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