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Search term: 41506-62-1 (Found by approved synonym)
ChemSpider 2D Image | Naphthol AS-P | C19H16N2O3

Naphthol AS-P

  • Molecular FormulaC19H16N2O3
  • Average mass320.342 Da
  • Monoisotopic mass320.116089 Da
  • ChemSpider ID149092

More details:

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

255-419-3 [EINECS]
2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-3-hydroxy- [ACD/Index Name]
41506-62-1 [RN]
N-(4-Acétamidophényl)-3-hydroxy-2-naphtamide [French] [ACD/IUPAC Name]
N-(4-Acetamidophenyl)-3-hydroxy-2-naphthamid [German] [ACD/IUPAC Name]
N-(4-Acetamidophenyl)-3-hydroxy-2-naphthamide [ACD/IUPAC Name]
N-[4-(Acetylamino)phenyl]-3-hydroxy-2-naphthalenecarboxamide
Naphthol AS-P
[41506-62-1] [RN]
2-Naphthalenecarboxamide, N-(4-(acetylamino)phenyl)-3-hydroxy-
More...

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

ZINC05160737 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 526.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 272.0±25.9 °C
Index of Refraction: 1.745
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.36
ACD/KOC (pH 5.5): 2040.55
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 274.43
ACD/KOC (pH 7.4): 1895.97
Polar Surface Area: 78 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 233.9±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) =  3.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  603.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  261.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.19E-014  (Modified Grain method)
    Subcooled liquid VP: 4.56E-012 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):  31.09
       log Kow used: 3.58 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16.206 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.84E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.613E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.58  (KowWin est)
  Log Kaw used:  -11.935  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.515
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1311
   Biowin2 (Non-Linear Model)     :   0.9914
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4392  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8361  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1592
   Biowin6 (MITI Non-Linear Model):   0.0376
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2528
 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):  6.08E-010 Pa (4.56E-012 mm Hg)
  Log Koa (Koawin est  ): 15.515
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.93E+003 
       Octanol/air (Koa) model:  804 
   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 =  52.6660 E-12 cm3/molecule-sec
      Half-Life =     0.203 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.437 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  9187
      Log Koc:  3.963 

 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 = 2.056 (BCF = 113.8)
       log Kow used: 3.58 (estimated)

 Volatilization from Water:
    Henry LC:  2.84E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  3.69E+010  hours   (1.537E+009 days)
    Half-Life from Model Lake : 4.025E+011  hours   (1.677E+010 days)

 Removal In Wastewater Treatment:
    Total removal:              14.98  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.78  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       0.0497          4.87         1000       
   Water     13              900          1000       
   Soil      85.8            1.8e+003     1000       
   Sediment  1.14            8.1e+003     0          
     Persistence Time: 1.57e+003 hr

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