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Search term: MF = 'C_{20}H_{17}N'
ChemSpider 2D Image | 7,9,11-TRIMETHYLBENZ[C]ACRIDINE | C20H17N

7,9,11-TRIMETHYLBENZ[C]ACRIDINE

  • Molecular FormulaC20H17N
  • Average mass271.356 Da
  • Monoisotopic mass271.136108 Da
  • ChemSpider ID36672

More details:

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

51787-42-9 [RN]
7,9,11-trimethyl-benz(c)acridine
7,9,11-TRIMETHYLBENZ[C]ACRIDINE
7,9,11-Trimethylbenzo[c]acridin [German] [ACD/IUPAC Name]
7,9,11-Trimethylbenzo[c]acridine [ACD/IUPAC Name]
7,9,11-Triméthylbenzo[c]acridine [French] [ACD/IUPAC Name]
Benz(c)acridine, 7,9,11-trimethyl-
Benz[c]acridine, 7,9,11-trimethyl- [ACD/Index Name]
1,3,10-Trimethyl-7,8-benzacridine [French]
5-20-08-00547 [Beilstein]
More...

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

0KWU69N3DS [DBID]
BRN 0217204 [DBID]
CCRIS 7726 [DBID]
UNII:0KWU69N3DS [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: 480.9±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 213.4±12.7 °C
Index of Refraction: 1.720
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1172.07
ACD/KOC (pH 5.5): 2622.01
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13454.83
ACD/KOC (pH 7.4): 30099.48
Polar Surface Area: 13 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 233.8±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) =  6.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  439.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  174.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.54E-008  (Modified Grain method)
    Subcooled liquid VP: 8.98E-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):  0.008007
       log Kow used: 6.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.12531 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.82E-009  atm-m3/mole
   Group Method:   3.38E-008  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.133E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.14  (KowWin est)
  Log Kaw used:  -6.443  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.583
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1251
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5756  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.5484  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0950
   Biowin6 (MITI Non-Linear Model):   0.0315
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0427
 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):  0.00012 Pa (8.98E-007 mm Hg)
  Log Koa (Koawin est  ): 12.583
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0251 
       Octanol/air (Koa) model:  0.94 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.475 
       Mackay model           :  0.667 
       Octanol/air (Koa) model:  0.987 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 160.7067 E-12 cm3/molecule-sec
      Half-Life =     0.067 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.799 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.571 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.045E+006
      Log Koc:  6.019 

 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 = 4.025 (BCF = 1.06e+004)
       log Kow used: 6.14 (estimated)

 Volatilization from Water:
    Henry LC:  3.38E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.854E+004  hours   (1189 days)
    Half-Life from Model Lake : 3.114E+005  hours   (1.298E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              92.67  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.90  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       0.00701         1.6          1000       
   Water     1.35            4.32e+003    1000       
   Soil      47.2            8.64e+003    1000       
   Sediment  51.5            3.89e+004    0          
     Persistence Time: 9.61e+003 hr

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