ChemSpider 2D Image | 1-Cyanoethyl(diethylamino)dimethylsilane | C9H20N2Si

1-Cyanoethyl(diethylamino)dimethylsilane

  • Molecular FormulaC9H20N2Si
  • Average mass184.354 Da
  • Monoisotopic mass184.139572 Da
  • ChemSpider ID113677

More details:

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

102636-22-6 [RN]
1-Cyanoethyl(diethylamino)dimethylsilane
2-[(Diethylamino)(dimethyl)silyl]propanenitrile [ACD/IUPAC Name]
2-[(Diéthylamino)(diméthyl)silyl]propanenitrile [French] [ACD/IUPAC Name]
2-[(Diethylamino)(dimethyl)silyl]propannitril [German] [ACD/IUPAC Name]
Propanenitrile, 2-[(diethylamino)dimethylsilyl]- [ACD/Index Name]
102859-33-6 [RN]
2-[(diethylamino)dimethylsilyl]propanenitrile
Cedmsdea
MFCD00142609
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 214.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 83.8±22.6 °C
Index of Refraction: 1.437
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 51.88
Polar Surface Area: 27 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 25.5±3.0 dyne/cm
Molar Volume: 213.8±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) =  1.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  231.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  14.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.072  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  741.3
       log Kow used: 1.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  491.63 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.10E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.356E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.86  (KowWin est)
  Log Kaw used:  -5.480  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.340
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9668
   Biowin2 (Non-Linear Model)     :   0.9935
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7094  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5166  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2855
   Biowin6 (MITI Non-Linear Model):   0.1537
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3244
 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):  9.08 Pa (0.0681 mm Hg)
  Log Koa (Koawin est  ): 7.340
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.3E-007 
       Octanol/air (Koa) model:  5.37E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.19E-005 
       Mackay model           :  2.64E-005 
       Octanol/air (Koa) model:  0.000429 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.5789 E-12 cm3/molecule-sec
      Half-Life =     0.576 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.908 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.92E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  378.1
      Log Koc:  2.578 

 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 = 0.729 (BCF = 5.354)
       log Kow used: 1.86 (estimated)

 Volatilization from Water:
    Henry LC:  8.1E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       9816  hours   (409 days)
    Half-Life from Model Lake : 1.072E+005  hours   (4466 days)

 Removal In Wastewater Treatment:
    Total removal:               2.14  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.04  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.397           13.8         1000       
   Water     30              900          1000       
   Soil      69.5            1.8e+003     1000       
   Sediment  0.0996          8.1e+003     0          
     Persistence Time: 963 hr

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