Found 1 result

Search term: 24289-65-4 (Found by approved synonym)
ChemSpider 2D Image | 4-Methoxy-3,5-bis(2-methyl-2-propanyl)phenol | C15H24O2

4-Methoxy-3,5-bis(2-methyl-2-propanyl)phenol

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID10760159

More details:

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

24289-65-4 [RN]
4-Methoxy-3,5-bis(2-methyl-2-propanyl)phenol [German] [ACD/IUPAC Name]
4-Methoxy-3,5-bis(2-methyl-2-propanyl)phenol [ACD/IUPAC Name]
4-Méthoxy-3,5-bis(2-méthyl-2-propanyl)phénol [French] [ACD/IUPAC Name]
Phenol, 3,5-bis(1,1-dimethylethyl)-4-methoxy- [ACD/Index Name]
2,5-Di-t-butylhydrochinonmonomethylether
3,5-di-t-butyl-4-methoxyphenol
3,5-ditert-butyl-4-methoxy-phenol
3,5-Di-tert-butyl-4-methoxyphenol
4-methoxy-3,5-di-tert-butylphenol
More...

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

E4 [DBID]

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

    Density: 1.0±0.0 g/cm3
    Boiling Point: 339.6±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 60.6±0.0 kJ/mol
    Flash Point: 131.6±0.0 °C
    Index of Refraction: 1.496
    Molar Refractivity: 71.6±0.0 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.69
    ACD/LogD (pH 5.5): 4.69
    ACD/BCF (pH 5.5): 2144.56
    ACD/KOC (pH 5.5): 8436.60
    ACD/LogD (pH 7.4): 4.69
    ACD/BCF (pH 7.4): 2143.54
    ACD/KOC (pH 7.4): 8432.59
    Polar Surface Area: 29 Å2
    Polarizability: 28.4±0.0 10-24cm3
    Surface Tension: 30.2±0.0 dyne/cm
    Molar Volume: 245.2±0.0 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) =  5.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  311.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  95.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.05E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000337 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):  2.549
       log Kow used: 5.41 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.515 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.21E-007  atm-m3/mole
   Group Method:   2.56E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.602E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.41  (KowWin est)
  Log Kaw used:  -5.044  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.454
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5149
   Biowin2 (Non-Linear Model)     :   0.3459
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2509  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3167  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4230
   Biowin6 (MITI Non-Linear Model):   0.2121
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3215
 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):  0.0449 Pa (0.000337 mm Hg)
  Log Koa (Koawin est  ): 10.454
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.68E-005 
       Octanol/air (Koa) model:  0.00698 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00241 
       Mackay model           :  0.00531 
       Octanol/air (Koa) model:  0.358 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 141.8998 E-12 cm3/molecule-sec
      Half-Life =     0.075 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.905 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.00386 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.012E+004
      Log Koc:  4.005 

 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 = 3.468 (BCF = 2936)
       log Kow used: 5.41 (estimated)

 Volatilization from Water:
    Henry LC:  2.56E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      353.2  hours   (14.72 days)
    Half-Life from Model Lake :       3982  hours   (165.9 days)

 Removal In Wastewater Treatment:
    Total removal:              87.04  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    86.29  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0482          1.81         1000       
   Water     8               900          1000       
   Soil      49              1.8e+003     1000       
   Sediment  42.9            8.1e+003     0          
     Persistence Time: 1.77e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement