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Search term: MF = 'C_{23}H_{18}N_{2}'
ChemSpider 2D Image | N,N'-Diphenyl-1-naphthalenecarboximidamide | C23H18N2

N,N'-Diphenyl-1-naphthalenecarboximidamide

  • Molecular FormulaC23H18N2
  • Average mass322.402 Da
  • Monoisotopic mass322.147003 Da
  • ChemSpider ID2589732

More details:

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

1-Naphthalenecarboximidamide, N,N'-diphenyl- [ACD/Index Name]
N,N'-Diphényl-1-naphtalènecarboximidamide [French] [ACD/IUPAC Name]
N,N'-Diphenyl-1-naphthalenecarboximidamide [ACD/IUPAC Name]
N,N'-Diphenyl-1-naphthalincarboximidamid [German] [ACD/IUPAC Name]
((1E)-1-naphthyl-2-phenyl-2-azavinyl)phenylamine
N,N'-Diphenyl-naphthalene-1-carboxamidine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 524.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.2±22.6 °C
Index of Refraction: 1.618
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1081.72
ACD/KOC (pH 5.5): 2519.78
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 11644.67
ACD/KOC (pH 7.4): 27125.32
Polar Surface Area: 24 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 298.1±7.0 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) =  6.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  472.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  187.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.71E-009  (Modified Grain method)
    Subcooled liquid VP: 1.34E-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):  0.01318
       log Kow used: 6.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.011232 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.45E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.723E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.84  (KowWin est)
  Log Kaw used:  -7.652  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.492
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6165
   Biowin2 (Non-Linear Model)     :   0.5304
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3958  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2840  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2650
   Biowin6 (MITI Non-Linear Model):   0.0026
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6277
 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):  1.79E-005 Pa (1.34E-007 mm Hg)
  Log Koa (Koawin est  ): 14.492
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.168 
       Octanol/air (Koa) model:  76.2 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.858 
       Mackay model           :  0.931 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  92.3845 E-12 cm3/molecule-sec
      Half-Life =     0.116 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.389 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.895 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.065E+006
      Log Koc:  6.315 

 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 = 4.563 (BCF = 3.657e+004)
       log Kow used: 6.84 (estimated)

 Volatilization from Water:
    Henry LC:  5.45E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.929E+006  hours   (8.037E+004 days)
    Half-Life from Model Lake : 2.104E+007  hours   (8.768E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              93.76  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.98  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       0.012           2.78         1000       
   Water     1.98            900          1000       
   Soil      38.2            1.8e+003     1000       
   Sediment  59.8            8.1e+003     0          
     Persistence Time: 3.62e+003 hr

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