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Search term: C7H14Si (Found by molecular formula)
ChemSpider 2D Image | Trimethyl(2-methylenecyclopropyl)silane | C7H14Si

Trimethyl(2-methylenecyclopropyl)silane

  • Molecular FormulaC7H14Si
  • Average mass126.272 Da
  • Monoisotopic mass126.086479 Da
  • ChemSpider ID480819

More details:

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

Cyclopropane, 1-methylene-2-(trimethylsilyl)- [ACD/Index Name]
Silane, trimethyl(methylenecyclopropyl)-
Trimethyl(2-methylencyclopropyl)silan [German] [ACD/IUPAC Name]
Trimethyl(2-methylenecyclopropyl)silane [ACD/IUPAC Name]
Triméthyl(2-méthylènecyclopropyl)silane [French] [ACD/IUPAC Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 113.4±19.0 °C at 760 mmHg
Vapour Pressure: 24.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.7±3.0 kJ/mol
Flash Point: 7.2±15.1 °C
Index of Refraction: 1.432
Molar Refractivity: 40.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 267.53
ACD/KOC (pH 5.5): 1901.58
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.53
ACD/KOC (pH 7.4): 1901.58
Polar Surface Area: 0 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 18.2±5.0 dyne/cm
Molar Volume: 156.9±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) =  3.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  93.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  49  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  42.21
       log Kow used: 3.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9901 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.01E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.929E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.93  (KowWin est)
  Log Kaw used:  0.915  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.015
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6874
   Biowin2 (Non-Linear Model)     :   0.7713
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9201  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6656  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3823
   Biowin6 (MITI Non-Linear Model):   0.2896
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3698
 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):  6.25E+003 Pa (46.9 mm Hg)
  Log Koa (Koawin est  ): 3.015
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.8E-010 
       Octanol/air (Koa) model:  2.54E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.73E-008 
       Mackay model           :  3.84E-008 
       Octanol/air (Koa) model:  2.03E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.9243 E-12 cm3/molecule-sec
      Half-Life =     0.206 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.472 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): 2.79E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  311.2
      Log Koc:  2.493 

 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 = 2.323 (BCF = 210.3)
       log Kow used: 3.93 (estimated)

 Volatilization from Water:
    Henry LC:  0.201 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.15  hours
    Half-Life from Model Lake :      106.8  hours   (4.449 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.88  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    15.44  percent
    Total to Air:               83.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.2             4.07         1000       
   Water     58.9            360          1000       
   Soil      30.4            720          1000       
   Sediment  6.45            3.24e+003    0          
     Persistence Time: 104 hr

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