Found 213 results

Search term: MF = 'C_{25}H_{19}NO_{2}'
ChemSpider 2D Image | 4-(3-Phenoxyphenyl)-3,4-dihydrobenzo[h]quinolin-2(1H)-one | C25H19NO2

4-(3-Phenoxyphenyl)-3,4-dihydrobenzo[h]quinolin-2(1H)-one

  • Molecular FormulaC25H19NO2
  • Average mass365.424 Da
  • Monoisotopic mass365.141571 Da
  • ChemSpider ID2369285

More details:

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

4-(3-Phenoxyphenyl)-3,4-dihydrobenzo[h]chinolin-2(1H)-on [German] [ACD/IUPAC Name]
4-(3-Phénoxyphényl)-3,4-dihydrobenzo[h]quinoléin-2(1H)-one [French] [ACD/IUPAC Name]
4-(3-Phenoxyphenyl)-3,4-dihydrobenzo[h]quinolin-2(1H)-one [ACD/IUPAC Name]
Benzo[h]quinolin-2(1H)-one, 3,4-dihydro-4-(3-phenoxyphenyl)- [ACD/Index Name]
(4R)-4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
303136-38-1 [RN]
4-(3-phenoxyphenyl)-1,3,4-trihydrobenzo[h]quinolin-2-one
4-(3-phenoxyphenyl)-1H,2H,3H,4H-benzo[h]quinolin-2-one
4-(3-phenoxyphenyl)-1H,3H,4H-benzo[h]quinolin-2-one
4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
More...

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

AK-968/11533167 [DBID]
BAS 00679708 [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: 568.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.3±3.0 kJ/mol
    Flash Point: 297.6±30.1 °C
    Index of Refraction: 1.666
    Molar Refractivity: 110.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.94
    ACD/LogD (pH 5.5): 5.64
    ACD/BCF (pH 5.5): 11380.86
    ACD/KOC (pH 5.5): 27861.01
    ACD/LogD (pH 7.4): 5.64
    ACD/BCF (pH 7.4): 11381.09
    ACD/KOC (pH 7.4): 27861.56
    Polar Surface Area: 38 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 50.9±3.0 dyne/cm
    Molar Volume: 297.7±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) =  5.89

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  579.78  (Adapted Stein & Brown method)
    Melting Pt (deg C):  249.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.89E-013  (Modified Grain method)
    Subcooled liquid VP: 2.48E-010 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):  0.04702
       log Kow used: 5.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0030575 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.17E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.091E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.89  (KowWin est)
  Log Kaw used:  -10.675  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.565
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0984
   Biowin2 (Non-Linear Model)     :   0.9941
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2264  (months      )
   Biowin4 (Primary Survey Model) :   3.5394  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0801
   Biowin6 (MITI Non-Linear Model):   0.0289
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9684
 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):  3.31E-008 Pa (2.48E-010 mm Hg)
  Log Koa (Koawin est  ): 16.565
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  90.7 
       Octanol/air (Koa) model:  9.02E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.6337 E-12 cm3/molecule-sec
      Half-Life =     0.117 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.401 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.119E+006
      Log Koc:  6.494 

 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 = 3.832 (BCF = 6788)
       log Kow used: 5.89 (estimated)

 Volatilization from Water:
    Henry LC:  5.17E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.165E+009  hours   (9.02E+007 days)
    Half-Life from Model Lake : 2.362E+010  hours   (9.84E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              91.62  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    90.86  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       0.00666         2.8          1000       
   Water     2.82            1.44e+003    1000       
   Soil      49.7            2.88e+003    1000       
   Sediment  47.4            1.3e+004     0          
     Persistence Time: 4.69e+003 hr

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