Found 48 results

Search term: MF = 'C_{16}H_{30}O_{7}'
ChemSpider 2D Image | 6-O-Decanoyl-D-galactopyranose | C16H30O7

6-O-Decanoyl-D-galactopyranose

  • Molecular FormulaC16H30O7
  • Average mass334.405 Da
  • Monoisotopic mass334.199158 Da
  • ChemSpider ID8241019

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

6-O-Decanoyl-D-galactopyranose [ACD/IUPAC Name]
6-O-Decanoyl-D-galactopyranose [German] [ACD/IUPAC Name]
6-O-Decanoyl-D-galactopyranose [French] [ACD/IUPAC Name]
D-Galactopyranose, 6-O-(1-oxodecyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 165.8±22.2 °C
Index of Refraction: 1.522
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.44
ACD/KOC (pH 5.5): 1080.46
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.44
ACD/KOC (pH 7.4): 1080.43
Polar Surface Area: 116 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 275.1±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) =  1.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  479.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  192.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.58E-012  (Modified Grain method)
    Subcooled liquid VP: 9.14E-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):  209.6
       log Kow used: 1.83 (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:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.10E-015  atm-m3/mole
   Group Method:   8.29E-024  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.317E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.83  (KowWin est)
  Log Kaw used:  -12.603  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.433
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1585
   Biowin2 (Non-Linear Model)     :   0.9946
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5299  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3714  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.2144
   Biowin6 (MITI Non-Linear Model):   0.9216
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.3156
 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):  1.22E-008 Pa (9.14E-011 mm Hg)
  Log Koa (Koawin est  ): 14.433
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  246 
       Octanol/air (Koa) model:  66.5 
   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 = 112.2154 E-12 cm3/molecule-sec
      Half-Life =     0.095 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.144 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]:
  Total Kb for pH > 8 at 25 deg C :  6.204E-002  L/mol-sec
  Kb Half-Life at pH 8:     129.295  days   
  Kb Half-Life at pH 7:       3.540  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.710 (BCF = 5.133)
       log Kow used: 1.83 (estimated)

 Volatilization from Water:
    Henry LC:  6.1E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.755E+011  hours   (7.313E+009 days)
    Half-Life from Model Lake : 1.915E+012  hours   (7.978E+010 days)

 Removal In Wastewater Treatment:
    Total removal:               2.12  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.02  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       0.00237         2.29         1000       
   Water     24.1            208          1000       
   Soil      75.8            416          1000       
   Sediment  0.0661          1.87e+003    0          
     Persistence Time: 432 hr

Click to predict properties on the Chemicalize site


Advertisement