ChemSpider 2D Image | MFCD00039292 | C8H15Cl3Si

MFCD00039292

  • Molecular FormulaC8H15Cl3Si
  • Average mass245.649 Da
  • Monoisotopic mass244.000854 Da
  • ChemSpider ID94002

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

153447-97-3 [RN]
257-747-2 [EINECS]
52217-52-4 [RN]
7-octenyltrichlorosilane
MFCD00039292
Silane, trichloro-7-octen-1-yl- [ACD/Index Name]
Silane, trichloro-7-octenyl-
Trichlor(7-octen-1-yl)silan [German] [ACD/IUPAC Name]
Trichloro(7-octen-1-yl)silane [ACD/IUPAC Name]
Trichloro(7-octén-1-yl)silane [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

539279_ALDRICH [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 237.5±19.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 110.3±16.2 °C
Index of Refraction: 1.463
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29535.09
ACD/KOC (pH 5.5): 55138.21
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29535.09
ACD/KOC (pH 7.4): 55138.21
Polar Surface Area: 0 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 26.9±3.0 dyne/cm
Molar Volume: 225.6±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) =  5.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  213.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  6.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.183  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.7319
       log Kow used: 5.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.021249 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.89E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.082E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.31  (KowWin est)
  Log Kaw used:  0.072  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.238
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6306
   Biowin2 (Non-Linear Model)     :   0.3824
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6563  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4933  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2964
   Biowin6 (MITI Non-Linear Model):   0.1297
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7715
 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):  22.5 Pa (0.169 mm Hg)
  Log Koa (Koawin est  ): 5.238
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.33E-007 
       Octanol/air (Koa) model:  4.25E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.81E-006 
       Mackay model           :  1.07E-005 
       Octanol/air (Koa) model:  3.4E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  34.3647 E-12 cm3/molecule-sec
      Half-Life =     0.311 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.735 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 7.73E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3804
      Log Koc:  3.580 

 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 = 3.388 (BCF = 2441)
       log Kow used: 5.31 (estimated)

 Volatilization from Water:
    Henry LC:  0.0289 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.631  hours
    Half-Life from Model Lake :      149.2  hours   (6.217 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.31  percent
    Total biodegradation:        0.34  percent
    Total sludge adsorption:    63.34  percent
    Total to Air:               31.63  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.351           5.63         1000       
   Water     6.5             900          1000       
   Soil      64.6            1.8e+003     1000       
   Sediment  28.5            8.1e+003     0          
     Persistence Time: 1.16e+003 hr




                    

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