ChemSpider 2D Image | (E)-1-(3-Furyl)-N-(trimethylsilyl)methanimine | C8H13NOSi

(E)-1-(3-Furyl)-N-(trimethylsilyl)methanimine

  • Molecular FormulaC8H13NOSi
  • Average mass167.280 Da
  • Monoisotopic mass167.076645 Da
  • ChemSpider ID8830003

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-(3-Furyl)-N-(trimethylsilyl)methanimin [German] [ACD/IUPAC Name]
(E)-1-(3-Furyl)-N-(trimethylsilyl)methanimine [ACD/IUPAC Name]
(E)-1-(3-Furyl)-N-(triméthylsilyl)méthanimine [French] [ACD/IUPAC Name]
Silanamine, N-[(1E)-3-furanylmethylene]-1,1,1-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: 191.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 69.5±25.1 °C
Index of Refraction: 1.465
Molar Refractivity: 49.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 137.94
ACD/KOC (pH 5.5): 1004.66
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 243.15
ACD/KOC (pH 7.4): 1770.95
Polar Surface Area: 26 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 23.8±7.0 dyne/cm
Molar Volume: 180.5±7.0 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) =  3.67

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  184.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -19.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.78  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  46.92
       log Kow used: 3.67 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.5976 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.93E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.659E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.67  (KowWin est)
  Log Kaw used:  -1.438  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.108
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6679
   Biowin2 (Non-Linear Model)     :   0.6532
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8295  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6064  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2306
   Biowin6 (MITI Non-Linear Model):   0.1649
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3442
 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):  94.7 Pa (0.71 mm Hg)
  Log Koa (Koawin est  ): 5.108
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.17E-008 
       Octanol/air (Koa) model:  3.15E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.14E-006 
       Mackay model           :  2.54E-006 
       Octanol/air (Koa) model:  2.52E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  98.4737 E-12 cm3/molecule-sec
      Half-Life =     0.109 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.303 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 1.84E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2107
      Log Koc:  3.324 

 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 = 2.122 (BCF = 132.5)
       log Kow used: 3.67 (estimated)

 Volatilization from Water:
    Henry LC:  0.000893 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.168  hours
    Half-Life from Model Lake :      132.1  hours   (5.504 days)

 Removal In Wastewater Treatment:
    Total removal:              38.41  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    15.28  percent
    Total to Air:               22.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.454           2.61         1000       
   Water     17.4            360          1000       
   Soil      81              720          1000       
   Sediment  1.1             3.24e+003    0          
     Persistence Time: 393 hr

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