ChemSpider 2D Image | N'-(2-Methylbenzoyl)-2-naphthohydrazide | C19H16N2O2

N'-(2-Methylbenzoyl)-2-naphthohydrazide

  • Molecular FormulaC19H16N2O2
  • Average mass304.342 Da
  • Monoisotopic mass304.121185 Da
  • ChemSpider ID87364

More details:

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

280-915-1 [EINECS]
2-Naphthalenecarboxylic acid, 2-(2-methylbenzoyl)hydrazide [ACD/Index Name]
83803-94-5 [RN]
N'-(2-Methylbenzoyl)-2-naphthohydrazid [German] [ACD/IUPAC Name]
N'-(2-Methylbenzoyl)-2-naphthohydrazide [ACD/IUPAC Name]
N'-(2-Méthylbenzoyl)-2-naphtohydrazide [French] [ACD/IUPAC Name]
(2-methylphenyl)-N-(2-naphthylcarbonylamino)carboxamide
1-(2-Methylbenzoyl)-2-(2-naphthoyl)hydrazine
2'-(2-methylbenzoyl)-2-naphthohydrazide
2-(2-NAPHTHOYL)-1-(O-TOLUOYL)HYDRAZINE
More...

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

BIM-0017658.P001 [DBID]
CBMicro_017697 [DBID]
NSC88892 [DBID]
ZINC00298924 [DBID]
  • Miscellaneous

    • Safety:

      26-37/39 Alfa Aesar A18587
      26-37-60 Alfa Aesar A18587
      36/37/38 Alfa Aesar A18587
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A18587
      H315-H319-H335 Alfa Aesar A18587
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A18587
      Warning Alfa Aesar A18587
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A18587

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

Density: 1.2±0.1 g/cm3
Boiling Point: 587.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 223.8±25.5 °C
Index of Refraction: 1.655
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.38
ACD/KOC (pH 5.5): 956.11
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.30
ACD/KOC (pH 7.4): 955.41
Polar Surface Area: 58 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 248.4±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) =  3.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  568.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  244.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.97E-012  (Modified Grain method)
    Subcooled liquid VP: 4.76E-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):  21.19
       log Kow used: 3.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  50.027 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.01E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.723E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.21  (KowWin est)
  Log Kaw used:  -10.384  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.594
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6573
   Biowin2 (Non-Linear Model)     :   0.3239
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4517  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3401  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4344
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5854
 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):  6.35E-008 Pa (4.76E-010 mm Hg)
  Log Koa (Koawin est  ): 13.594
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  47.3 
       Octanol/air (Koa) model:  9.64 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.999 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.4666 E-12 cm3/molecule-sec
      Half-Life =     0.302 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.619 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    :  1.416E+004
      Log Koc:  4.151 

 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 = 1.768 (BCF = 58.65)
       log Kow used: 3.21 (estimated)

 Volatilization from Water:
    Henry LC:  1.01E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.011E+009  hours   (4.214E+007 days)
    Half-Life from Model Lake : 1.103E+010  hours   (4.597E+008 days)

 Removal In Wastewater Treatment:
    Total removal:               7.93  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.79  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       0.0209          7.24         1000       
   Water     12.6            900          1000       
   Soil      86.9            1.8e+003     1000       
   Sediment  0.464           8.1e+003     0          
     Persistence Time: 1.72e+003 hr

Click to predict properties on the Chemicalize site


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