Found 49 results

Search term: MF = 'C_{6}H_{14}OSi'
ChemSpider 2D Image | IPOTMS | C6H14OSi

IPOTMS

  • Molecular FormulaC6H14OSi
  • Average mass130.260 Da
  • Monoisotopic mass130.081390 Da
  • ChemSpider ID67176

More details:

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

(Isopropenyloxy)(trimethyl)silan [German] [ACD/IUPAC Name]
(Isopropenyloxy)(trimethyl)silane [ACD/IUPAC Name]
(Isopropényloxy)(triméthyl)silane [French] [ACD/IUPAC Name]
(Isopropenyloxy)trimethylsilane
1833-53-0 [RN]
2-(Trimethylsiloxy)propene
217-393-1 [EINECS]
Acetone enol trimethylsilyl ether
IPOTMS
Isopropenoxytrimethylsilane
More...

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

1849023 [DBID]
376078_ALDRICH [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: 93.0±8.0 °C at 760 mmHg
Vapour Pressure: 57.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 31.9±3.0 kJ/mol
Flash Point: 7.2±0.0 °C
Index of Refraction: 1.400
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.99
ACD/KOC (pH 5.5): 612.76
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.99
ACD/KOC (pH 7.4): 612.76
Polar Surface Area: 9 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 17.1±3.0 dyne/cm
Molar Volume: 164.6±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) =  2.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  88.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -81.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  62.2  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  416.4
       log Kow used: 2.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  32365 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.69E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.560E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.74  (KowWin est)
  Log Kaw used:  0.839  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.901
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6855
   Biowin2 (Non-Linear Model)     :   0.7611
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9113  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6598  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3386
   Biowin6 (MITI Non-Linear Model):   0.2497
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3707
 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):  7.96E+003 Pa (59.7 mm Hg)
  Log Koa (Koawin est  ): 1.901
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.77E-010 
       Octanol/air (Koa) model:  1.95E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.36E-008 
       Mackay model           :  3.02E-008 
       Octanol/air (Koa) model:  1.56E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.9848 E-12 cm3/molecule-sec
      Half-Life =     0.206 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.469 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 2.19E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  275.5
      Log Koc:  2.440 

 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 = 1.413 (BCF = 25.86)
       log Kow used: 2.74 (estimated)

 Volatilization from Water:
    Henry LC:  0.169 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.169  hours
    Half-Life from Model Lake :      108.4  hours   (4.519 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.50  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.55  percent
    Total to Air:               96.93  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.51            4.1          1000       
   Water     87.7            360          1000       
   Soil      4.85            720          1000       
   Sediment  0.915           3.24e+003    0          
     Persistence Time: 70.1 hr

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