ChemSpider 2D Image | Tetradecyl glycidyl ether | C17H34O2

Tetradecyl glycidyl ether

  • Molecular FormulaC17H34O2
  • Average mass270.451 Da
  • Monoisotopic mass270.255890 Da
  • ChemSpider ID35010

More details:

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

((TETRADECYLOXY)METHYL)OXIRANE
(Myristyloxymethyl)oxirane
[(tetradecyloxy)methyl]oxirane
2-[(Tetradecyloxy)methyl]oxiran [German] [ACD/IUPAC Name]
2-[(Tetradecyloxy)methyl]oxirane [ACD/IUPAC Name]
2-[(Tétradécyloxy)méthyl]oxirane [French] [ACD/IUPAC Name]
254-219-3 [EINECS]
38954-75-5 [RN]
Oxirane, ((tetradecyloxy)methyl)-
Oxirane, [(tetradecyloxy)methyl]-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 329.0±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 162.5±4.0 °C
Index of Refraction: 1.455
Molar Refractivity: 82.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48202.57
ACD/KOC (pH 5.5): 78293.19
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48202.57
ACD/KOC (pH 7.4): 78293.19
Polar Surface Area: 22 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 302.8±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) =  5.99

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  327.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  76.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000289  (Modified Grain method)
    Subcooled liquid VP: 0.000886 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1389
       log Kow used: 5.99 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.34011 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.43E-005  atm-m3/mole
   Group Method:   1.65E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.404E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.99  (KowWin est)
  Log Kaw used:  -2.517  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.507
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0325
   Biowin2 (Non-Linear Model)     :   0.0029
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8825  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7071  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6349
   Biowin6 (MITI Non-Linear Model):   0.6554
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2076
 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):  0.118 Pa (0.000886 mm Hg)
  Log Koa (Koawin est  ): 8.507
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.54E-005 
       Octanol/air (Koa) model:  7.89E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000916 
       Mackay model           :  0.00203 
       Octanol/air (Koa) model:  0.00627 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.9813 E-12 cm3/molecule-sec
      Half-Life =     0.315 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.777 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00147 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1288
      Log Koc:  3.110 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Ka (acid-catalyzed) at 25 deg C :  3.545E-003  L/mol-sec
  Ka Half-Life at pH 7:      61.947  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.913 (BCF = 818.6)
       log Kow used: 5.99 (estimated)

 Volatilization from Water:
    Henry LC:  7.43E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      14.64  hours
    Half-Life from Model Lake :      297.6  hours   (12.4 days)

 Removal In Wastewater Treatment:
    Total removal:              92.13  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.28  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.387           7.56         1000       
   Water     7.48            360          1000       
   Soil      38.4            720          1000       
   Sediment  53.7            3.24e+003    0          
     Persistence Time: 902 hr

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