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Search term: QAXPOSPGRHYIHE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | C10E5 | C20H42O6

C10E5

  • Molecular FormulaC20H42O6
  • Average mass378.544 Da
  • Monoisotopic mass378.298126 Da
  • ChemSpider ID147040

More details:

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

2-(2-(2-(2-(2-decyloxy-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethanol
23244-49-7 [RN]
3,6,9,12,15-Pentaoxapentacosan-1-ol [ACD/Index Name] [ACD/IUPAC Name]
3,6,9,12,15-Pentaoxapentacosan-1-ol [German] [ACD/IUPAC Name]
3,6,9,12,15-Pentaoxapentacosan-1-ol [French] [ACD/IUPAC Name]
C10E5
Decyl pentaethylene glycol ether
Decylpentaglycol
MFCD00043363
n-Decylpentaoxyethylene
More...

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

2457059 [DBID]
28000_FLUKA [DBID]
76436_FLUKA [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 460.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±6.0 kJ/mol
    Flash Point: 232.6±25.9 °C
    Index of Refraction: 1.453
    Molar Refractivity: 105.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 23
    #Rule of 5 Violations: 0
    ACD/LogP: 2.55
    ACD/LogD (pH 5.5): 3.46
    ACD/BCF (pH 5.5): 251.13
    ACD/KOC (pH 5.5): 1817.43
    ACD/LogD (pH 7.4): 3.46
    ACD/BCF (pH 7.4): 251.13
    ACD/KOC (pH 7.4): 1817.43
    Polar Surface Area: 66 Å2
    Polarizability: 41.6±0.5 10-24cm3
    Surface Tension: 34.9±3.0 dyne/cm
    Molar Volume: 388.0±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) =  2.42

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  438.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  166.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.84E-010  (Modified Grain method)
    Subcooled liquid VP: 1.38E-008 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):  116.2
       log Kow used: 2.42 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1892.1 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Surfactants-nonionic

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.13E-014  atm-m3/mole
   Group Method:   3.46E-018  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.075E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.42  (KowWin est)
  Log Kaw used:  -11.893  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.313
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.9023
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7776  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6514  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6937
   Biowin6 (MITI Non-Linear Model):   0.5611
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2209
 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):  1.84E-006 Pa (1.38E-008 mm Hg)
  Log Koa (Koawin est  ): 14.313
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.63 
       Octanol/air (Koa) model:  50.5 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.983 
       Mackay model           :  0.992 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  88.0542 E-12 cm3/molecule-sec
      Half-Life =     0.121 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.458 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.988 (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 = 1.160 (BCF = 14.45)
       log Kow used: 2.42 (estimated)

 Volatilization from Water:
    Henry LC:  3.46E-018 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.292E+014  hours   (1.372E+013 days)
    Half-Life from Model Lake : 3.592E+015  hours   (1.496E+014 days)

 Removal In Wastewater Treatment:
    Total removal:               2.89  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.79  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       4.79e-009       2.92         1000       
   Water     19.1            360          1000       
   Soil      80.7            720          1000       
   Sediment  0.118           3.24e+003    0          
     Persistence Time: 748 hr

    Click to predict properties on the Chemicalize site


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