Found 26 results

Search term: MF = 'C_{11}H_{15}O_{2}'
ChemSpider 2D Image | 1-(Methoxycarbonyl)-2,3,4,5-tetramethyl-1,2,3,4,5-cyclopentanepentayl | C11H15O2

1-(Methoxycarbonyl)-2,3,4,5-tetramethyl-1,2,3,4,5-cyclopentanepentayl

  • Molecular FormulaC11H15O2
  • Average mass179.236 Da
  • Monoisotopic mass179.107208 Da
  • ChemSpider ID9059444

More details:

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

1-(Methoxycarbonyl)-2,3,4,5-tetramethyl-1,2,3,4,5-cyclopentanepentayl [ACD/IUPAC Name]
1-(Méthoxycarbonyl)-2,3,4,5-tétraméthyl-1,2,3,4,5-cyclopentanepentayl [French] [ACD/IUPAC Name]
1-(Methoxycarbonyl)-2,3,4,5-tetramethyl-1,2,3,4,5-cyclopentanpentayl [German] [ACD/IUPAC Name]
1,2,3,4,5-Cyclopentanepentayl, 1-(methoxycarbonyl)-2,3,4,5-tetramethyl- [ACD/Index Name]

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

No predicted properties have been calculated for this compound.

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.82

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  214.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -5.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.174  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  28.57
       log Kow used: 3.82 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  69.42 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.46E-004  atm-m3/mole
   Group Method:   6.89E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.477E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.82  (KowWin est)
  Log Kaw used:  -1.516  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.336
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8340
   Biowin2 (Non-Linear Model)     :   0.9887
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9321  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8108  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5719
   Biowin6 (MITI Non-Linear Model):   0.2894
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8073
 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):  21.5 Pa (0.161 mm Hg)
  Log Koa (Koawin est  ): 5.336
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.4E-007 
       Octanol/air (Koa) model:  5.32E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.05E-006 
       Mackay model           :  1.12E-005 
       Octanol/air (Koa) model:  4.26E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.9827 E-12 cm3/molecule-sec
      Half-Life =     1.191 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.289 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.11E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  320.6
      Log Koc:  2.506 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.368E-002  L/mol-sec
  Kb Half-Life at pH 8:     149.445  days   
  Kb Half-Life at pH 7:       4.092  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.243 (BCF = 175)
       log Kow used: 3.82 (estimated)

 Volatilization from Water:
    Henry LC:  0.000689 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.539  hours
    Half-Life from Model Lake :      141.5  hours   (5.897 days)

 Removal In Wastewater Treatment:
    Total removal:              38.45  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    20.25  percent
    Total to Air:               17.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.3             28.6         1000       
   Water     16.7            360          1000       
   Soil      78.5            720          1000       
   Sediment  1.45            3.24e+003    0          
     Persistence Time: 421 hr

Click to predict properties on the Chemicalize site


Advertisement