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ChemSpider 2D Image | 2-Methyl-N-{2-methyl-1-[(trimethylsilyl)oxy]-2-propanyl}-1-propen-1-imine | C11H23NOSi

2-Methyl-N-{2-methyl-1-[(trimethylsilyl)oxy]-2-propanyl}-1-propen-1-imine

  • Molecular FormulaC11H23NOSi
  • Average mass213.392 Da
  • Monoisotopic mass213.154892 Da
  • ChemSpider ID255187

More details:

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

2-Methyl-N-{2-methyl-1-[(trimethylsilyl)oxy]-2-propanyl}-1-propen-1-imin [German] [ACD/IUPAC Name]
2-Methyl-N-{2-methyl-1-[(trimethylsilyl)oxy]-2-propanyl}-1-propen-1-imine [ACD/IUPAC Name]
2-Méthyl-N-{2-méthyl-1-[(triméthylsilyl)oxy]-2-propanyl}-1-propén-1-imine [French] [ACD/IUPAC Name]
Silane, trimethyl[2-methyl-2-[(2-methyl-1-propen-1-ylidene)amino]propoxy]- [ACD/Index Name]
2-methyl-n-(2-methylprop-1-en-1-ylidene)-1-[(trimethylsilyl)oxy]propan-2-amine
39575-64-9 [RN]

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

NSC151007 [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 237.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 97.3±25.4 °C
Index of Refraction: 1.423
Molar Refractivity: 66.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 451.99
ACD/KOC (pH 5.5): 2767.88
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 451.99
ACD/KOC (pH 7.4): 2767.88
Polar Surface Area: 22 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 20.9±7.0 dyne/cm
Molar Volume: 259.3±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) =  5.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  210.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -13.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.208  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.97
       log Kow used: 5.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  576.14 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.965E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4620
   Biowin2 (Non-Linear Model)     :   0.1487
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5155  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3864  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1972
   Biowin6 (MITI Non-Linear Model):   0.0647
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0292
 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):  25.5 Pa (0.191 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.18E-007 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.25E-006 
       Mackay model           :  9.42E-006 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 118.0632 E-12 cm3/molecule-sec
      Half-Life =     0.091 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.087 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   120.000000 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     13.752 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 6.84E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  7577
      Log Koc:  3.880 

 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 = 3.156 (BCF = 1434)
       log Kow used: 5.01 (estimated)

 Volatilization from Water:
    Henry LC:  0.0296 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:       1.52  hours
    Half-Life from Model Lake :      139.1  hours   (5.794 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.25  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    54.37  percent
    Total to Air:               40.61  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0192          0.207        1000       
   Water     8.39            900          1000       
   Soil      72              1.8e+003     1000       
   Sediment  19.6            8.1e+003     0          
     Persistence Time: 916 hr

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