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Search term: 82494-09-5 (Found by approved synonym)
ChemSpider 2D Image | Decyl-BATE-D-maltoside | C22H42O11

Decyl-BATE-D-maltoside

  • Molecular FormulaC22H42O11
  • Average mass482.562 Da
  • Monoisotopic mass482.272705 Da
  • ChemSpider ID4450827

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-O-α-D-Glucopyranosyl-β-D-glucopyranoside de décyle [French] [ACD/IUPAC Name]
82494-09-5 [RN]
Decyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
Decyl b-D-maltopyranoside
Decyl β-D-maltopyranoside
Decyl β-D-maltopyranoside
Decyl-4-O-α-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Decyl-BATE-D-maltoside
Decyl-β-D-maltoside
MFCD00061624 [MDL number]
More...

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

4923334 [DBID]
07509_FLUKA [DBID]
CCRIS 6081 [DBID]
D7658_SIGMA [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 370.8±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.07
ACD/KOC (pH 5.5): 155.20
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.07
ACD/KOC (pH 7.4): 155.20
Polar Surface Area: 179 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 363.9±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) =  -0.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  680.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  296.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.45E-020  (Modified Grain method)
    Subcooled liquid VP: 1.55E-017 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):  1741
       log Kow used: -0.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.83E-021  atm-m3/mole
   Group Method:   2.94E-041  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.288E-024 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.32  (KowWin est)
  Log Kaw used:  -19.126  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.806
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3479
   Biowin2 (Non-Linear Model)     :   0.0004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5162  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2878  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0788
   Biowin6 (MITI Non-Linear Model):   0.2049
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0195
 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):  2.07E-015 Pa (1.55E-017 mm Hg)
  Log Koa (Koawin est  ): 18.806
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.45E+009 
       Octanol/air (Koa) model:  1.57E+006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 152.3857 E-12 cm3/molecule-sec
      Half-Life =     0.070 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.842 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    :  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 = 0.500 (BCF = 3.162)
       log Kow used: -0.32 (estimated)

 Volatilization from Water:
    Henry LC:  1.83E-021 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 7.028E+017  hours   (2.928E+016 days)
    Half-Life from Model Lake : 7.667E+018  hours   (3.195E+017 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.00799         1.68         1000       
   Water     34.5            208          1000       
   Soil      65.5            416          1000       
   Sediment  0.0599          1.87e+003    0          
     Persistence Time: 382 hr

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