ChemSpider 2D Image | (Trimethylsilyl)cyclopropane | C6H14Si

(Trimethylsilyl)cyclopropane

  • Molecular FormulaC6H14Si
  • Average mass114.261 Da
  • Monoisotopic mass114.086479 Da
  • ChemSpider ID9989999

More details:

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

(Trimethylsilyl)cyclopropane
930-40-5 [RN]
Cyclopropane, (trimethylsilyl)- [ACD/Index Name]
Cyclopropyl(trimethyl)silan [German] [ACD/IUPAC Name]
Cyclopropyl(trimethyl)silane [ACD/IUPAC Name]
Cyclopropyl(triméthyl)silane [French] [ACD/IUPAC Name]
Cyclopropyltrimethylsilane
MFCD22053970
SILANE, CYCLOPROPYLTRIMETHYL-
Trimethylcyclopropylsilane

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

Density: 0.8±0.1 g/cm3
Boiling Point: 96.7±8.0 °C at 760 mmHg
Vapour Pressure: 49.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.2±3.0 kJ/mol
Flash Point: -3.0±12.0 °C
Index of Refraction: 1.417
Molar Refractivity: 36.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.67
ACD/KOC (pH 5.5): 2042.71
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.67
ACD/KOC (pH 7.4): 2042.71
Polar Surface Area: 0 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 18.0±5.0 dyne/cm
Molar Volume: 145.1±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) =  3.51

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  75.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -79.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  106  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  104.8
       log Kow used: 3.51 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.863 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.72E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.521E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.51  (KowWin est)
  Log Kaw used:  0.847  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.663
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6931
   Biowin2 (Non-Linear Model)     :   0.8000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9467  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6829  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4253
   Biowin6 (MITI Non-Linear Model):   0.4083
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3968
 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):  1.37E+004 Pa (103 mm Hg)
  Log Koa (Koawin est  ): 2.663
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.18E-010 
       Octanol/air (Koa) model:  1.13E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.89E-009 
       Mackay model           :  1.75E-008 
       Octanol/air (Koa) model:  9.04E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5699 E-12 cm3/molecule-sec
      Half-Life =    18.768 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.27E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  188.2
      Log Koc:  2.275 

 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 = 2.006 (BCF = 101.5)
       log Kow used: 3.51 (estimated)

 Volatilization from Water:
    Henry LC:  0.172 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.094  hours
    Half-Life from Model Lake :      101.6  hours   (4.232 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.59  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     7.11  percent
    Total to Air:               91.44  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       46.7            450          1000       
   Water     41.2            360          1000       
   Soil      10.2            720          1000       
   Sediment  1.86            3.24e+003    0          
     Persistence Time: 149 hr

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