ChemSpider 2D Image | Tetradecyl ethyleneglycol monoether | C16H34O2

Tetradecyl ethyleneglycol monoether

  • Molecular FormulaC16H34O2
  • Average mass258.440 Da
  • Monoisotopic mass258.255890 Da
  • ChemSpider ID15633

More details:

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

Tetradecyl ethyleneglycol monoether
2-(Tetradecyloxy) ethanol
2-(Tetradecyloxy)ethanol [ACD/IUPAC Name]
2-(Tetradecyloxy)ethanol [German] [ACD/IUPAC Name]
2-(Tétradécyloxy)éthanol [French] [ACD/IUPAC Name]
2136-70-1 [RN]
218-371-4 [EINECS]
Ethanol, 2-(tetradecyloxy)- [ACD/Index Name]
Ethylene glycol monotetradecyl ether
IAC0DWO8W5
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

03818_FLUKA [DBID]
03840_FLUKA [DBID]
AI3-33895 [DBID]
AI3-33896 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 330.8±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.4±6.0 kJ/mol
Flash Point: 78.6±6.8 °C
Index of Refraction: 1.449
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31149.33
ACD/KOC (pH 5.5): 57278.90
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31149.33
ACD/KOC (pH 7.4): 57278.90
Polar Surface Area: 29 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 296.5±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) =  5.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  343.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  83.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.22E-006  (Modified Grain method)
    Subcooled liquid VP: 8.04E-006 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):  1.442
       log Kow used: 5.48 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4483 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.66E-006  atm-m3/mole
   Group Method:   6.58E-007  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.235E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.48  (KowWin est)
  Log Kaw used:  -4.168  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.648
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5443
   Biowin2 (Non-Linear Model)     :   0.2443
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0777  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8636  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8475
   Biowin6 (MITI Non-Linear Model):   0.9186
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7041
 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):  0.00107 Pa (8.04E-006 mm Hg)
  Log Koa (Koawin est  ): 9.648
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0028 
       Octanol/air (Koa) model:  0.00109 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0918 
       Mackay model           :  0.183 
       Octanol/air (Koa) model:  0.0803 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  37.6439 E-12 cm3/molecule-sec
      Half-Life =     0.284 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.410 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.137 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  379.9
      Log Koc:  2.580 

 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 = 2.518 (BCF = 329.4)
       log Kow used: 5.48 (estimated)

 Volatilization from Water:
    Henry LC:  6.58E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1432  hours   (59.67 days)
    Half-Life from Model Lake : 1.576E+004  hours   (656.6 days)

 Removal In Wastewater Treatment:
    Total removal:              88.02  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    87.28  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.38            6.82         1000       
   Water     12.5            360          1000       
   Soil      49.1            720          1000       
   Sediment  38.1            3.24e+003    0          
     Persistence Time: 740 hr

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