ChemSpider 2D Image | Vinylmethyl(1-naphthyl)chlorosilane | C13H13ClSi

Vinylmethyl(1-naphthyl)chlorosilane

  • Molecular FormulaC13H13ClSi
  • Average mass232.781 Da
  • Monoisotopic mass232.047501 Da
  • ChemSpider ID505894

More details:

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

Chlor(methyl)1-naphthyl(vinyl)silan [German] [ACD/IUPAC Name]
Chloro(methyl)1-naphthyl(vinyl)silane [ACD/IUPAC Name]
Chloro(méthyl)1-naphtyl(vinyl)silane [French] [ACD/IUPAC Name]
Naphthalene, 1-(chloroethenylmethylsilyl)- [ACD/Index Name]
Vinylmethyl(1-naphthyl)chlorosilane
93395-53-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 311.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 130.8±10.3 °C
Index of Refraction: 1.577
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7145.09
ACD/KOC (pH 5.5): 19965.93
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7145.09
ACD/KOC (pH 7.4): 19965.93
Polar Surface Area: 0 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 32.9±5.0 dyne/cm
Molar Volume: 215.9±5.0 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) =  5.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  303.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  67.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000634  (Modified Grain method)
    Subcooled liquid VP: 0.00158 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):  0.4771
       log Kow used: 5.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.5607 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.86E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.070E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.61  (KowWin est)
  Log Kaw used:  -1.802  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.412
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6367
   Biowin2 (Non-Linear Model)     :   0.4263
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6847  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5119  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0961
   Biowin6 (MITI Non-Linear Model):   0.0374
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1321
 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):  0.211 Pa (0.00158 mm Hg)
  Log Koa (Koawin est  ): 7.412
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.42E-005 
       Octanol/air (Koa) model:  6.34E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000514 
       Mackay model           :  0.00114 
       Octanol/air (Koa) model:  0.000507 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  48.0496 E-12 cm3/molecule-sec
      Half-Life =     0.223 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.671 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.000826 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.659E+004
      Log Koc:  4.425 

 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 = 3.619 (BCF = 4155)
       log Kow used: 5.61 (estimated)

 Volatilization from Water:
    Henry LC:  0.000386 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.871  hours
    Half-Life from Model Lake :      170.2  hours   (7.09 days)

 Removal In Wastewater Treatment:
    Total removal:              89.71  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    88.15  percent
    Total to Air:                0.82  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.185           5.17         1000       
   Water     5.34            900          1000       
   Soil      52.6            1.8e+003     1000       
   Sediment  41.9            8.1e+003     0          
     Persistence Time: 1.64e+003 hr

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