ChemSpider 2D Image | 2-(2-Naphthyloxy)-N'-(1-propyl-4-piperidinylidene)acetohydrazide | C20H25N3O2

2-(2-Naphthyloxy)-N'-(1-propyl-4-piperidinylidene)acetohydrazide

  • Molecular FormulaC20H25N3O2
  • Average mass339.431 Da
  • Monoisotopic mass339.194672 Da
  • ChemSpider ID3721825

More details:

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

2-(2-Naphthyloxy)-N'-(1-propyl-4-piperidinyliden)acetohydrazid [German] [ACD/IUPAC Name]
2-(2-Naphthyloxy)-N'-(1-propyl-4-piperidinylidene)acetohydrazide [ACD/IUPAC Name]
2-(2-Naphthyloxy)-N'-(1-propylpiperidin-4-ylidene)acetohydrazide
2-(2-Naphtyloxy)-N'-(1-propyl-4-pipéridinylidène)acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-(2-naphthalenyloxy)-, 2-(1-propyl-4-piperidinylidene)hydrazide [ACD/Index Name]
(Naphthalen-2-yloxy)-acetic acid (1-propyl-piperidin-4-ylidene)-hydrazide
2-(2-naphthyloxy)-N-[(1-propyl(4-piperidylidene))azamethyl]acetamide
2-(naphthalen-2-yloxy)-N'-(1-propylpiperidin-4-ylidene)acetohydrazide
2-naphthalen-2-yloxy-N-[(1-propylpiperidin-4-ylidene)amino]acetamide
MFCD01348922

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.595
    Molar Refractivity: 99.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): 0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.22
    ACD/LogD (pH 7.4): 2.54
    ACD/BCF (pH 7.4): 39.73
    ACD/KOC (pH 7.4): 368.48
    Polar Surface Area: 54 Å2
    Polarizability: 39.3±0.5 10-24cm3
    Surface Tension: 44.2±7.0 dyne/cm
    Molar Volume: 292.1±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) =  4.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  518.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  221.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.39E-011  (Modified Grain method)
    Subcooled liquid VP: 9.27E-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):  1.543
       log Kow used: 4.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  36.07 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.07E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.139E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.29  (KowWin est)
  Log Kaw used:  -11.482  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.772
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5126
   Biowin2 (Non-Linear Model)     :   0.1436
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1361  (months      )
   Biowin4 (Primary Survey Model) :   3.1471  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0978
   Biowin6 (MITI Non-Linear Model):   0.0242
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2104
 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):  1.24E-006 Pa (9.27E-009 mm Hg)
  Log Koa (Koawin est  ): 15.772
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.43 
       Octanol/air (Koa) model:  1.45E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.989 
       Mackay model           :  0.995 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 311.9673 E-12 cm3/molecule-sec
      Half-Life =     0.034 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.686 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.021E+005
      Log Koc:  5.306 

 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 = 2.607 (BCF = 404.2)
       log Kow used: 4.29 (estimated)

 Volatilization from Water:
    Henry LC:  8.07E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.337E+010  hours   (5.569E+008 days)
    Half-Life from Model Lake : 1.458E+011  hours   (6.076E+009 days)

 Removal In Wastewater Treatment:
    Total removal:              44.73  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    44.29  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       5.13e-005       0.823        1000       
   Water     8.09            1.44e+003    1000       
   Soil      87              2.88e+003    1000       
   Sediment  4.88            1.3e+004     0          
     Persistence Time: 3e+003 hr

    Click to predict properties on the Chemicalize site


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