ChemSpider 2D Image | 3-Buten-1-ylsilane | C4H10Si

3-Buten-1-ylsilane

  • Molecular FormulaC4H10Si
  • Average mass86.208 Da
  • Monoisotopic mass86.055176 Da
  • ChemSpider ID13582503

More details:

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

3-Buten-1-ylsilan [German] [ACD/IUPAC Name]
3-Buten-1-ylsilane [ACD/IUPAC Name]
3-Butén-1-ylsilane [French] [ACD/IUPAC Name]
Silane, 3-buten-1-yl- [ACD/Index Name]
3-butenylsilane

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

Density:
Boiling Point: 59.8±19.0 °C at 760 mmHg
Vapour Pressure: 210.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.0±3.0 kJ/mol
Flash Point: -10.0±21.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  48.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -111.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  313  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1103
       log Kow used: 2.41 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.6253 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.48E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.219E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.41  (KowWin est)
  Log Kaw used:  0.782  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.628
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7065
   Biowin2 (Non-Linear Model)     :   0.8563
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0087  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7234  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5731
   Biowin6 (MITI Non-Linear Model):   0.7274
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6675
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.15E+004 Pa (311 mm Hg)
  Log Koa (Koawin est  ): 1.628
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.23E-011 
       Octanol/air (Koa) model:  1.04E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.61E-009 
       Mackay model           :  5.79E-009 
       Octanol/air (Koa) model:  8.34E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.7125 E-12 cm3/molecule-sec
      Half-Life =     0.373 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.470 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): 4.2E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  80.77
      Log Koc:  1.907 

 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 = 1.158 (BCF = 14.4)
       log Kow used: 2.41 (estimated)

 Volatilization from Water:
    Henry LC:  0.148 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.9511  hours   (57.07 min)
    Half-Life from Model Lake :      88.23  hours   (3.676 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.29  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.88  percent
    Total to Air:               97.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.78            6.43         1000       
   Water     86.6            360          1000       
   Soil      3.12            720          1000       
   Sediment  0.524           3.24e+003    0          
     Persistence Time: 71 hr

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