Found 26 results

Search term: MF = 'C_{24}H_{40}O_{8}'
ChemSpider 2D Image | 2-[(1-Phenyl-2,5,8,11,14,17-hexaoxanonadecan-19-yl)oxy]tetrahydro-2H-pyran | C24H40O8

2-[(1-Phenyl-2,5,8,11,14,17-hexaoxanonadecan-19-yl)oxy]tetrahydro-2H-pyran

  • Molecular FormulaC24H40O8
  • Average mass456.570 Da
  • Monoisotopic mass456.272308 Da
  • ChemSpider ID8822830

More details:

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

2-[(1-Phenyl-2,5,8,11,14,17-hexaoxanonadecan-19-yl)oxy]tetrahydro-2H-pyran [ACD/IUPAC Name]
2-[(1-Phenyl-2,5,8,11,14,17-hexaoxanonadecan-19-yl)oxy]tetrahydro-2H-pyran [German] [ACD/IUPAC Name]
2-[(1-Phényl-2,5,8,11,14,17-hexaoxanonadécan-19-yl)oxy]tétrahydro-2H-pyrane [French] [ACD/IUPAC Name]
2H-Pyran, tetrahydro-2-[(19-phenyl-3,6,9,12,15,18-hexaoxanonadec-1-yl)oxy]- [ACD/Index Name]
2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
230620-73-2 [RN]
Benzyl-PEG6-THP

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

Density: 1.1±0.1 g/cm3
Boiling Point: 539.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 207.1±30.0 °C
Index of Refraction: 1.501
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 75.78
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 75.78
Polar Surface Area: 74 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 414.3±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) =  1.15

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  499.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  203.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.68E-010  (Modified Grain method)
    Subcooled liquid VP: 2.8E-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):  140
       log Kow used: 1.15 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20302 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.47E-018  atm-m3/mole
   Group Method:   1.47E-023  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.579E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.15  (KowWin est)
  Log Kaw used:  -15.515  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.665
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -2.1206
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1428  (months      )
   Biowin4 (Primary Survey Model) :   3.1160  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0353
   Biowin6 (MITI Non-Linear Model):   0.0063
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.6170
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.73E-006 Pa (2.8E-008 mm Hg)
  Log Koa (Koawin est  ): 16.665
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.804 
       Octanol/air (Koa) model:  1.14E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.967 
       Mackay model           :  0.985 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 117.2244 E-12 cm3/molecule-sec
      Half-Life =     0.091 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.095 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.976 (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 = 0.189 (BCF = 1.543)
       log Kow used: 1.15 (estimated)

 Volatilization from Water:
    Henry LC:  7.47E-018 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.675E+014  hours   (6.978E+012 days)
    Half-Life from Model Lake : 1.827E+015  hours   (7.613E+013 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.81  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       3.32e-009       2.19         1000       
   Water     41.2            1.44e+003    1000       
   Soil      58.7            2.88e+003    1000       
   Sediment  0.0914          1.3e+004     0          
     Persistence Time: 1.33e+003 hr

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