ChemSpider 2D Image | N-[4-(Decyloxy)phenyl]-3,3-dimethyl-1-piperidinecarboxamide | C24H40N2O2

N-[4-(Decyloxy)phenyl]-3,3-dimethyl-1-piperidinecarboxamide

  • Molecular FormulaC24H40N2O2
  • Average mass388.587 Da
  • Monoisotopic mass388.308990 Da
  • ChemSpider ID2373210

More details:

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

1-Piperidinecarboxamide, N-[4-(decyloxy)phenyl]-3,3-dimethyl- [ACD/Index Name]
N-[4-(Decyloxy)phenyl]-3,3-dimethyl-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[4-(Decyloxy)phenyl]-3,3-dimethyl-1-piperidinecarboxamide [ACD/IUPAC Name]
N-[4-(Décyloxy)phényl]-3,3-diméthyl-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3,3-dimethylpiperidyl)-N-(4-decyloxyphenyl)carboxamide
3,3-Dimethyl-piperidine-1-carboxylic acid (4-decyloxy-phenyl)-amide
332025-99-7 [RN]
MFCD00468206
N-(4-decoxyphenyl)-3,3-dimethylpiperidine-1-carboxamide
N-[4-(decyloxy)phenyl]-3,3-dimethylpiperidine-1-carboxamide

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

A1338/0060367 [DBID]
BAS 00829320 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 535.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.2±3.0 kJ/mol
    Flash Point: 277.7±27.9 °C
    Index of Refraction: 1.522
    Molar Refractivity: 118.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 7.57
    ACD/LogD (pH 5.5): 7.81
    ACD/BCF (pH 5.5): 507864.22
    ACD/KOC (pH 5.5): 422415.25
    ACD/LogD (pH 7.4): 7.81
    ACD/BCF (pH 7.4): 507883.16
    ACD/KOC (pH 7.4): 422431.00
    Polar Surface Area: 42 Å2
    Polarizability: 46.8±0.5 10-24cm3
    Surface Tension: 39.4±3.0 dyne/cm
    Molar Volume: 387.1±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) =  8.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  500.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  212.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.67E-010  (Modified Grain method)
    Subcooled liquid VP: 2.66E-008 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):  0.0004218
       log Kow used: 8.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0003571 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.34E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.237E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.12  (KowWin est)
  Log Kaw used:  -7.261  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.381
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6190
   Biowin2 (Non-Linear Model)     :   0.4649
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3685  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4798  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3767
   Biowin6 (MITI Non-Linear Model):   0.1651
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5044
 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):  3.55E-006 Pa (2.66E-008 mm Hg)
  Log Koa (Koawin est  ): 15.381
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.846 
       Octanol/air (Koa) model:  590 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.968 
       Mackay model           :  0.985 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  71.3035 E-12 cm3/molecule-sec
      Half-Life =     0.150 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.800 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.977 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.623E+005
      Log Koc:  5.210 

 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 = 1.781 (BCF = 60.33)
       log Kow used: 8.12 (estimated)

 Volatilization from Water:
    Henry LC:  1.34E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.613E+005  hours   (3.589E+004 days)
    Half-Life from Model Lake : 9.396E+006  hours   (3.915E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  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       0.0369          3.6          1000       
   Water     1.82            900          1000       
   Soil      31.8            1.8e+003     1000       
   Sediment  66.4            8.1e+003     0          
     Persistence Time: 3.34e+003 hr

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