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ChemSpider 2D Image | 10-Methyl-1,3,4,10-tetrahydro-9(2H)-acridinone | C14H15NO

10-Methyl-1,3,4,10-tetrahydro-9(2H)-acridinone

  • Molecular FormulaC14H15NO
  • Average mass213.275 Da
  • Monoisotopic mass213.115356 Da
  • ChemSpider ID202130

More details:

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

10-Methyl-1,3,4,10-tetrahydro-9(2H)-acridinon [German] [ACD/IUPAC Name]
10-Methyl-1,3,4,10-tetrahydro-9(2H)-acridinone [ACD/IUPAC Name]
10-Méthyl-1,3,4,10-tétrahydro-9(2H)-acridinone [French] [ACD/IUPAC Name]
10-methyl-1,3,4,10-tetrahydroacridin-9(2H)-one
9(2H)-Acridinone, 1,3,4,10-tetrahydro-10-methyl- [ACD/Index Name]
10-methyl-1,2,3,4,9,10-hexahydroacridin-9-one
10-methyl-1,2,3,4-tetrahydroacridin-9-one
10-Methyl-1,3,4,10-tetrahydro-2H-acridin-9-one
10-methyl-5,6,7,8,10-pentahydroacridin-9-one
10-METHYL-5,6,7,8-TETRAHYDROACRIDIN-9-ONE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AO-080/42479446 [DBID]
NSC28892 [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: 344.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.9±3.0 kJ/mol
    Flash Point: 132.6±17.3 °C
    Index of Refraction: 1.619
    Molar Refractivity: 63.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 138.38
    ACD/KOC (pH 5.5): 1186.28
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 138.38
    ACD/KOC (pH 7.4): 1186.28
    Polar Surface Area: 20 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 48.4±5.0 dyne/cm
    Molar Volume: 180.1±5.0 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) =  3.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  337.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  116.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.18E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000258 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):  21.02
       log Kow used: 3.81 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  141.99 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.09E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.246E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.81  (KowWin est)
  Log Kaw used:  -5.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.161
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4476
   Biowin2 (Non-Linear Model)     :   0.0632
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4506  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2298  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2227
   Biowin6 (MITI Non-Linear Model):   0.1005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5720
 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):  0.0344 Pa (0.000258 mm Hg)
  Log Koa (Koawin est  ): 9.161
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.72E-005 
       Octanol/air (Koa) model:  0.000356 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00314 
       Mackay model           :  0.00693 
       Octanol/air (Koa) model:  0.0277 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.8073 E-12 cm3/molecule-sec
      Half-Life =     0.262 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.145 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi): 0.00503 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  309.9
      Log Koc:  2.491 

 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 = 1.390 (BCF = 24.55)
       log Kow used: 3.81 (estimated)

 Volatilization from Water:
    Henry LC:  1.09E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       7846  hours   (326.9 days)
    Half-Life from Model Lake : 8.571E+004  hours   (3571 days)

 Removal In Wastewater Treatment:
    Total removal:              22.21  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    21.94  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       0.0892          2.34         1000       
   Water     16.8            900          1000       
   Soil      80.6            1.8e+003     1000       
   Sediment  2.54            8.1e+003     0          
     Persistence Time: 1.13e+003 hr

    Click to predict properties on the Chemicalize site


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