ChemSpider 2D Image | [(1R)-1-Chloropropyl](trimethyl)silane | C6H15ClSi

[(1R)-1-Chloropropyl](trimethyl)silane

  • Molecular FormulaC6H15ClSi
  • Average mass150.722 Da
  • Monoisotopic mass150.063156 Da
  • ChemSpider ID557763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R)-1-Chloropropyl](trimethyl)silane [ACD/IUPAC Name]
[(1R)-1-Chloropropyl](triméthyl)silane [French] [ACD/IUPAC Name]
[(1R)-1-Chlorpropyl](trimethyl)silan [German] [ACD/IUPAC Name]
Silane, [(1R)-1-chloropropyl]trimethyl- [ACD/Index Name]
(1-Chloropropyl)(trimethyl)silane [ACD/IUPAC Name]
Silane, (1-chloropropyl)trimethyl- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 141.8±13.0 °C at 760 mmHg
Vapour Pressure: 7.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.3±3.0 kJ/mol
Flash Point: 30.1±5.2 °C
Index of Refraction: 1.410
Molar Refractivity: 43.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 499.06
ACD/KOC (pH 5.5): 2971.28
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 499.06
ACD/KOC (pH 7.4): 2971.28
Polar Surface Area: 0 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 19.1±3.0 dyne/cm
Molar Volume: 175.1±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) =  3.88

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  108.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -71.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  26.2  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  36.5
       log Kow used: 3.88 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.5385 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.37E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.424E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.88  (KowWin est)
  Log Kaw used:  0.748  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.132
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5644
   Biowin2 (Non-Linear Model)     :   0.2720
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6929  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5297  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2652
   Biowin6 (MITI Non-Linear Model):   0.1133
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3633
 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):  3.29E+003 Pa (24.7 mm Hg)
  Log Koa (Koawin est  ): 3.132
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.11E-010 
       Octanol/air (Koa) model:  3.33E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.29E-008 
       Mackay model           :  7.29E-008 
       Octanol/air (Koa) model:  2.66E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9498 E-12 cm3/molecule-sec
      Half-Life =     5.486 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    65.830 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.29E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  298.3
      Log Koc:  2.475 

 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 = 2.289 (BCF = 194.4)
       log Kow used: 3.88 (estimated)

 Volatilization from Water:
    Henry LC:  0.137 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.258  hours
    Half-Life from Model Lake :      116.7  hours   (4.861 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.35  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    14.24  percent
    Total to Air:               84.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       29              132          1000       
   Water     41              900          1000       
   Soil      22.7            1.8e+003     1000       
   Sediment  7.3             8.1e+003     0          
     Persistence Time: 190 hr

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