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Search term: MF = 'C_{24}H_{22}O'
ChemSpider 2D Image | J5H3K58DK2 | C24H22O

J5H3K58DK2

  • Molecular FormulaC24H22O
  • Average mass326.431 Da
  • Monoisotopic mass326.167053 Da
  • ChemSpider ID19086

More details:

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

3,4-DIHYDRO-6-METHOXY-2-PHENYL-1-P-TOLYLNAPHTHALENE
4256-38-6 [RN]
7-Méthoxy-4-(4-méthylphényl)-3-phényl-1,2-dihydronaphtalène [French] [ACD/IUPAC Name]
7-Methoxy-4-(4-methylphenyl)-3-phenyl-1,2-dihydronaphthalene [ACD/IUPAC Name]
7-Methoxy-4-(4-methylphenyl)-3-phenyl-1,2-dihydronaphthalin [German] [ACD/IUPAC Name]
J5H3K58DK2
Naphthalene, 3,4-dihydro-6-methoxy-1-(4-methylphenyl)-2-phenyl- [ACD/Index Name]
1,2-Dihydro-7-methoxy-3-phenyl-4-(p-tolyl)naphthalene
7-Methoxy-3-phenyl-4-(p-tolyl)-1,2-dihydronaphthalene
Naphthalene, 1,2-dihydro-7-methoxy-3-phenyl-4-(p-tolyl)-
More...

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

BRN 2000219 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 191.8±17.7 °C
Index of Refraction: 1.618
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 183247.34
ACD/KOC (pH 5.5): 203637.80
ACD/LogD (pH 7.4): 7.23
ACD/BCF (pH 7.4): 183247.34
ACD/KOC (pH 7.4): 203637.80
Polar Surface Area: 9 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 294.2±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) =  6.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  437.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  167.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.28E-008  (Modified Grain method)
    Subcooled liquid VP: 9.75E-007 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):  0.009726
       log Kow used: 6.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.014926 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.38E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.449E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.96  (KowWin est)
  Log Kaw used:  -3.249  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.209
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4275
   Biowin2 (Non-Linear Model)     :   0.0642
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4163  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3034  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0837
   Biowin6 (MITI Non-Linear Model):   0.0064
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9738
 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):  0.00013 Pa (9.75E-007 mm Hg)
  Log Koa (Koawin est  ): 10.209
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0231 
       Octanol/air (Koa) model:  0.00397 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.455 
       Mackay model           :  0.649 
       Octanol/air (Koa) model:  0.241 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 403.2833 E-12 cm3/molecule-sec
      Half-Life =     0.027 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.096 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  4932.089844 E-17 cm3/molecule-sec
      Half-Life =     0.000 Days (at 7E11 mol/cm3)
      Half-Life =      0.335 Min
   Fraction sorbed to airborne particulates (phi): 0.552 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.571E+005
      Log Koc:  5.660 

 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 = 4.661 (BCF = 4.577e+004)
       log Kow used: 6.96 (estimated)

 Volatilization from Water:
    Henry LC:  1.38E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       78.5  hours   (3.271 days)
    Half-Life from Model Lake :       1008  hours   (41.99 days)

 Removal In Wastewater Treatment:
    Total removal:              93.83  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.05  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       8.93e-005       0.00553      1000       
   Water     2.18            900          1000       
   Soil      29              1.8e+003     1000       
   Sediment  68.8            8.1e+003     0          
     Persistence Time: 2.99e+003 hr

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