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Search term: 92-79-5 (Found by approved synonym)
ChemSpider 2D Image | Naphtol AS-RL | C18H15NO3

Naphtol AS-RL

  • Molecular FormulaC18H15NO3
  • Average mass293.317 Da
  • Monoisotopic mass293.105194 Da
  • ChemSpider ID60087

More details:

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

202-190-2 [EINECS]
2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxyphenyl)- [ACD/Index Name]
3-Hydroxy-4'-methoxy-2-naphthanilide
3-Hydroxy-N-(4-méthoxyphényl)-2-naphtamide [French] [ACD/IUPAC Name]
3-Hydroxy-N-(4-methoxyphenyl)-2-naphthalenecarboxamide
3-Hydroxy-N-(4-methoxyphenyl)-2-naphthamid [German] [ACD/IUPAC Name]
3-Hydroxy-N-(4-methoxyphenyl)-2-naphthamide [ACD/IUPAC Name]
92-79-5 [RN]
Azoic Coupling Component 11
Naphtol AS-RL
More...

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

MFCD00021641 [DBID]
T0MUF32GX6 [DBID]
AIDS020093 [DBID]
AIDS-020093 [DBID]
C.I. 37535 [DBID]
EU-0068113 [DBID]
NSC 37613 [DBID]
NSC37613 [DBID]
UNII:T0MUF32GX6 [DBID]
ZINC00247769 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 211.9±24.6 °C
Index of Refraction: 1.703
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1229.64
ACD/KOC (pH 5.5): 5663.97
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1136.22
ACD/KOC (pH 7.4): 5233.65
Polar Surface Area: 59 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 224.9±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) =  4.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  507.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  216.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.98E-011  (Modified Grain method)
    Subcooled liquid VP: 2.17E-009 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):  6.594
       log Kow used: 4.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.582 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.24E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.159E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.55  (KowWin est)
  Log Kaw used:  -10.423  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.973
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0658
   Biowin2 (Non-Linear Model)     :   0.9909
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4950  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7468  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3082
   Biowin6 (MITI Non-Linear Model):   0.1167
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5069
 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):  2.89E-007 Pa (2.17E-009 mm Hg)
  Log Koa (Koawin est  ): 14.973
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  10.4 
       Octanol/air (Koa) model:  231 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.997 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  58.1474 E-12 cm3/molecule-sec
      Half-Life =     0.184 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.207 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4745
      Log Koc:  3.676 

 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 = 2.806 (BCF = 640.1)
       log Kow used: 4.55 (estimated)

 Volatilization from Water:
    Henry LC:  9.24E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.085E+009  hours   (4.522E+007 days)
    Half-Life from Model Lake : 1.184E+010  hours   (4.933E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              58.63  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    58.09  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       0.00357         4.41         1000       
   Water     9.98            900          1000       
   Soil      81.6            1.8e+003     1000       
   Sediment  8.39            8.1e+003     0          
     Persistence Time: 1.98e+003 hr

Click to predict properties on the Chemicalize site


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