ChemSpider 2D Image | 9-(2-Naphthyl)-9,10-dihydrophenanthrene | C24H18

9-(2-Naphthyl)-9,10-dihydrophenanthrene

  • Molecular FormulaC24H18
  • Average mass306.400 Da
  • Monoisotopic mass306.140839 Da
  • ChemSpider ID4249433

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

9-(2-Naphthyl)-9,10-dihydrophenanthren [German] [ACD/IUPAC Name]
9-(2-Naphthyl)-9,10-dihydrophenanthrene [ACD/IUPAC Name]
9-(2-Naphtyl)-9,10-dihydrophénanthrène [French] [ACD/IUPAC Name]
Phenanthrene, 9,10-dihydro-9-(2-naphthalenyl)- [ACD/Index Name]
(9R)-9-(naphthalen-2-yl)-9,10-dihydrophenanthrene
(9R)-9-naphthalen-2-yl-9,10-dihydrophenanthrene
68623-04-1 [RN]
9-naphthalen-2-yl-9,10-dihydrophenanthrene
AC1NNM08
AGN-PC-0K8Q1Z
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AB-131/42301008 [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: 472.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 70.8±0.8 kJ/mol
    Flash Point: 235.6±17.3 °C
    Index of Refraction: 1.687
    Molar Refractivity: 100.7±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 7.67
    ACD/LogD (pH 5.5): 7.35
    ACD/BCF (pH 5.5): 226486.33
    ACD/KOC (pH 5.5): 236981.47
    ACD/LogD (pH 7.4): 7.35
    ACD/BCF (pH 7.4): 226486.33
    ACD/KOC (pH 7.4): 236981.47
    Polar Surface Area: 0 Å2
    Polarizability: 39.9±0.5 10-24cm3
    Surface Tension: 50.3±3.0 dyne/cm
    Molar Volume: 264.4±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) =  7.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  463.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  177.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.79E-009  (Modified Grain method)
    Subcooled liquid VP: 2.22E-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):  0.0008607
       log Kow used: 7.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00011443 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.75E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.712E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.03  (KowWin est)
  Log Kaw used:  -4.145  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.175
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7110
   Biowin2 (Non-Linear Model)     :   0.4531
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3723  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2686  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1416
   Biowin6 (MITI Non-Linear Model):   0.0124
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7985
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.9985
     BioHC Half-Life (days)     :  99.6493

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.96E-005 Pa (2.22E-007 mm Hg)
  Log Koa (Koawin est  ): 11.175
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.101 
       Octanol/air (Koa) model:  0.0367 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.785 
       Mackay model           :  0.89 
       Octanol/air (Koa) model:  0.746 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  62.9834 E-12 cm3/molecule-sec
      Half-Life =     0.170 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.038 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.838 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8.918E+006
      Log Koc:  6.950 

 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 = 4.764 (BCF = 5.805e+004)
       log Kow used: 7.03 (estimated)

 Volatilization from Water:
    Henry LC:  1.75E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      587.4  hours   (24.48 days)
    Half-Life from Model Lake :       6555  hours   (273.1 days)

 Removal In Wastewater Treatment:
    Total removal:              93.86  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.08  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       0.0519          4.08         1000       
   Water     2.08            900          1000       
   Soil      30.7            1.8e+003     1000       
   Sediment  67.2            8.1e+003     0          
     Persistence Time: 3.13e+003 hr

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