ChemSpider 2D Image | Lauryl glucoside | C18H36O6

Lauryl glucoside

  • Molecular FormulaC18H36O6
  • Average mass348.475 Da
  • Monoisotopic mass348.251190 Da
  • ChemSpider ID84249

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

261-614-4 [EINECS]
59122-55-3 [RN]
Dodecyl b-D-glucopyranoside
Dodecyl glucoside
Dodecyl β-D-glucopyranoside
Dodecyl β-D-glucopyranoside [ACD/IUPAC Name]
Dodecyl-BATE-D-glucopyranoside
Dodecyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Lauryl glucoside [Wiki]
MFCD00063298 [MDL number]
More...

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

86236 [DBID]
AI3-08497 [DBID]
D8035_SIGMA [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 499.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±6.0 kJ/mol
    Flash Point: 255.6±28.7 °C
    Index of Refraction: 1.509
    Molar Refractivity: 92.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 138.02
    ACD/KOC (pH 5.5): 1184.10
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 138.02
    ACD/KOC (pH 7.4): 1184.09
    Polar Surface Area: 99 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 48.3±5.0 dyne/cm
    Molar Volume: 311.1±5.0 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) =  2.90

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  492.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  199.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.02E-013  (Modified Grain method)
    Subcooled liquid VP: 3.47E-011 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):  21.19
       log Kow used: 2.90 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  39073 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.52E-013  atm-m3/mole
   Group Method:   9.52E-023  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.086E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.90  (KowWin est)
  Log Kaw used:  -10.842  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.742
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6303
   Biowin2 (Non-Linear Model)     :   0.0770
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3499  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1123  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9785
   Biowin6 (MITI Non-Linear Model):   0.6886
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9645
 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):  4.63E-009 Pa (3.47E-011 mm Hg)
  Log Koa (Koawin est  ): 13.742
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  648 
       Octanol/air (Koa) model:  13.6 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.999 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  85.6850 E-12 cm3/molecule-sec
      Half-Life =     0.125 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.498 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  17.01
      Log Koc:  1.231 

 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 = 1.532 (BCF = 34.01)
       log Kow used: 2.90 (estimated)

 Volatilization from Water:
    Henry LC:  3.52E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.105E+009  hours   (1.294E+008 days)
    Half-Life from Model Lake : 3.387E+010  hours   (1.411E+009 days)

 Removal In Wastewater Treatment:
    Total removal:               4.92  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.81  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       0.19            3            1000       
   Water     22.5            208          1000       
   Soil      77.1            416          1000       
   Sediment  0.242           1.87e+003    0          
     Persistence Time: 368 hr

    Click to predict properties on the Chemicalize site


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