ChemSpider 2D Image | KM5480000 | C5H14OSi

KM5480000

  • Molecular FormulaC5H14OSi
  • Average mass118.250 Da
  • Monoisotopic mass118.081390 Da
  • ChemSpider ID17017

More details:

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

(2-Hydroxyethyl)trimethylsilane
2-(trimethylsilyl)ethan-1-ol
2-(Trimethylsilyl)ethanal
2-(Trimethylsilyl)ethanol [ACD/IUPAC Name]
2-(Trimethylsilyl)ethanol [German] [ACD/IUPAC Name]
2-(Triméthylsilyl)éthanol [French] [ACD/IUPAC Name]
220-844-5 [EINECS]
2916-68-9 [RN]
2-Hydroxyethyltrimethylsilane
2-Trimethylsilyl ethanol
More...

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

MFCD00002825 [DBID]
226890_ALDRICH [DBID]
92747_FLUKA [DBID]
BRN 1732034 [DBID]
CCRIS 4693 [DBID]
NSC 96784 [DBID]
NSC96784 [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: 145.0±13.0 °C at 760 mmHg
Vapour Pressure: 2.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.5±6.0 kJ/mol
Flash Point: 50.6±0.0 °C
Index of Refraction: 1.406
Molar Refractivity: 35.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.75
ACD/KOC (pH 5.5): 450.23
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.75
ACD/KOC (pH 7.4): 450.23
Polar Surface Area: 20 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 20.5±3.0 dyne/cm
Molar Volume: 144.3±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) =  1.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  136.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -46.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.87  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.066e+004
       log Kow used: 1.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  316.53 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.07E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.189E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.74  (KowWin est)
  Log Kaw used:  -3.359  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.099
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8500
   Biowin2 (Non-Linear Model)     :   0.9204
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0978  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8066  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6215
   Biowin6 (MITI Non-Linear Model):   0.7376
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7821
 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):  347 Pa (2.6 mm Hg)
  Log Koa (Koawin est  ): 5.099
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.65E-009 
       Octanol/air (Koa) model:  3.08E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.13E-007 
       Mackay model           :  6.92E-007 
       Octanol/air (Koa) model:  2.47E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.8734 E-12 cm3/molecule-sec
      Half-Life =     1.821 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.853 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.02E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.391
      Log Koc:  0.732 

 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 = 0.644 (BCF = 4.401)
       log Kow used: 1.74 (estimated)

 Volatilization from Water:
    Henry LC:  1.07E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      60.61  hours   (2.525 days)
    Half-Life from Model Lake :      752.4  hours   (31.35 days)

 Removal In Wastewater Treatment:
    Total removal:               2.65  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.96  percent
    Total to Air:                0.60  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.55            43.7         1000       
   Water     34.4            360          1000       
   Soil      62              720          1000       
   Sediment  0.0954          3.24e+003    0          
     Persistence Time: 397 hr

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