ChemSpider 2D Image | 2-(2-tert-butoxyethoxy)-2-methylpropane | C10H22O2

2-(2-tert-butoxyethoxy)-2-methylpropane

  • Molecular FormulaC10H22O2
  • Average mass174.281 Da
  • Monoisotopic mass174.161987 Da
  • ChemSpider ID147440

More details:

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

2-(2-tert-butoxyethoxy)-2-methylpropane
2,2'-(Ethylenebis(oxy))bis(2-methylpropane)
2-[2-(1,1-Dimethylethoxy)ethoxy]-2-methylpropane
247-793-1 [EINECS]
26547-47-7 [RN]
2-Methyl-2-{2-[(2-methyl-2-propanyl)oxy]ethoxy}propan [German] [ACD/IUPAC Name]
2-Methyl-2-{2-[(2-methyl-2-propanyl)oxy]ethoxy}propane [ACD/IUPAC Name]
2-Méthyl-2-{2-[(2-méthyl-2-propanyl)oxy]éthoxy}propane [French] [ACD/IUPAC Name]
Propane, 2,2'-[1,2-ethanediylbis(oxy)]bis[2-methyl- [ACD/Index Name]
1,2-di-tert-butoxyethane
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.8±0.1 g/cm3
    Boiling Point: 169.5±8.0 °C at 760 mmHg
    Vapour Pressure: 2.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 38.9±3.0 kJ/mol
    Flash Point: 30.0±18.0 °C
    Index of Refraction: 1.416
    Molar Refractivity: 51.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.02
    ACD/LogD (pH 5.5): 2.28
    ACD/BCF (pH 5.5): 31.74
    ACD/KOC (pH 5.5): 413.46
    ACD/LogD (pH 7.4): 2.28
    ACD/BCF (pH 7.4): 31.74
    ACD/KOC (pH 7.4): 413.46
    Polar Surface Area: 18 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 24.6±3.0 dyne/cm
    Molar Volume: 206.4±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) =  2.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  166.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -18.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.47  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  415.9
       log Kow used: 2.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7643.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.33E-005  atm-m3/mole
   Group Method:   8.88E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.362E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.52  (KowWin est)
  Log Kaw used:  -2.523  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.043
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3980
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3724  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2699  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4331
   Biowin6 (MITI Non-Linear Model):   0.2796
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7723
 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):  301 Pa (2.26 mm Hg)
  Log Koa (Koawin est  ): 5.043
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.96E-009 
       Octanol/air (Koa) model:  2.71E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.6E-007 
       Mackay model           :  7.96E-007 
       Octanol/air (Koa) model:  2.17E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.8716 E-12 cm3/molecule-sec
      Half-Life =     0.634 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.608 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.78E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 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 = 1.238 (BCF = 17.3)
       log Kow used: 2.52 (estimated)

 Volatilization from Water:
    Henry LC:  8.88E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      88.39  hours   (3.683 days)
    Half-Life from Model Lake :       1075  hours   (44.79 days)

 Removal In Wastewater Treatment:
    Total removal:               3.63  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.04  percent
    Total to Air:                0.49  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.714           15.2         1000       
   Water     22.7            900          1000       
   Soil      76.4            1.8e+003     1000       
   Sediment  0.193           8.1e+003     0          
     Persistence Time: 915 hr

    Click to predict properties on the Chemicalize site


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