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Search term: MF = 'C_{26}H_{20}O_{2}'
ChemSpider 2D Image | 1,8-Naphthalenediylbis[(2-methylphenyl)methanone] | C26H20O2

1,8-Naphthalenediylbis[(2-methylphenyl)methanone]

  • Molecular FormulaC26H20O2
  • Average mass364.436 Da
  • Monoisotopic mass364.146332 Da
  • ChemSpider ID370221

More details:

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

1,8-Naphtalènediylbis[(2-méthylphényl)méthanone] [French] [ACD/IUPAC Name]
1,8-Naphthalenediylbis[(2-methylphenyl)methanone] [ACD/IUPAC Name]
1,8-Naphthalindiylbis[(2-methylphenyl)methanon] [German] [ACD/IUPAC Name]
Methanone, 1,1'-(1,8-naphthalenediyl)bis[1-(2-methylphenyl)- [ACD/Index Name]
(Naphthalene-1,8-diyl)bis[(2-methylphenyl)methanone]
85847-64-9 [RN]
METHANONE,1,8-NAPHTHALENEDIYLBIS[(2-METHYLPHENYL)- (9CI)

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

NSC99264 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 190.1±21.6 °C
Index of Refraction: 1.646
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22680.44
ACD/KOC (pH 5.5): 45641.60
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22680.44
ACD/KOC (pH 7.4): 45641.60
Polar Surface Area: 34 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 312.3±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) =  6.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  517.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  220.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.02E-011  (Modified Grain method)
    Subcooled liquid VP: 9.92E-009 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):  0.01236
       log Kow used: 6.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.018945 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.32E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.112E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.57  (KowWin est)
  Log Kaw used:  -8.468  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.038
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6970
   Biowin2 (Non-Linear Model)     :   0.1281
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1991  (months      )
   Biowin4 (Primary Survey Model) :   3.1404  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0614
   Biowin6 (MITI Non-Linear Model):   0.0174
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.0273
 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):  1.32E-006 Pa (9.92E-009 mm Hg)
  Log Koa (Koawin est  ): 15.038
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.27 
       Octanol/air (Koa) model:  268 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.988 
       Mackay model           :  0.995 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.8520 E-12 cm3/molecule-sec
      Half-Life =     0.599 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.190 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.991 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.219E+005
      Log Koc:  5.346 

 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 = 3.520 (BCF = 3313)
       log Kow used: 6.57 (estimated)

 Volatilization from Water:
    Henry LC:  8.32E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.343E+007  hours   (5.598E+005 days)
    Half-Life from Model Lake : 1.466E+008  hours   (6.106E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              93.52  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.75  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       0.019           14.4         1000       
   Water     1.58            1.44e+003    1000       
   Soil      42.8            2.88e+003    1000       
   Sediment  55.6            1.3e+004     0          
     Persistence Time: 5.61e+003 hr

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