ChemSpider 2D Image | 4-(5-Nonanyl)-2-pyridinamine | C14H24N2

4-(5-Nonanyl)-2-pyridinamine

  • Molecular FormulaC14H24N2
  • Average mass220.354 Da
  • Monoisotopic mass220.193954 Da
  • ChemSpider ID5658607

More details:

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

2-Pyridinamine, 4-(1-butylpentyl)- [ACD/Index Name]
4-(5-Nonanyl)-2-pyridinamin [German] [ACD/IUPAC Name]
4-(5-Nonanyl)-2-pyridinamine [ACD/IUPAC Name]
4-(5-Nonanyl)-2-pyridinamine [French] [ACD/IUPAC Name]
4-(Nonan-5-yl)pyridin-2-amine
4-(1-Butylpentyl)pyridin-2-ylamine
4-(1-Butyl-pentyl)-pyridin-2-ylamine
4-(NONAN-5-YL)PYRIDIN-2-AMINE|4-(NONAN-5-YL)PYRIDIN-2-AMINE
4-nonan-5-ylpyridin-2-amine
72914-15-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 345.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.0±3.0 kJ/mol
    Flash Point: 189.6±9.5 °C
    Index of Refraction: 1.515
    Molar Refractivity: 70.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.14
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 32.15
    ACD/KOC (pH 5.5): 136.16
    ACD/LogD (pH 7.4): 4.29
    ACD/BCF (pH 7.4): 942.79
    ACD/KOC (pH 7.4): 3993.12
    Polar Surface Area: 39 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 38.0±3.0 dyne/cm
    Molar Volume: 234.1±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) =  4.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  331.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  104.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.12E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000364 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):  2.103
       log Kow used: 4.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  205.16 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.65E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.438E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.93  (KowWin est)
  Log Kaw used:  -5.965  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.895
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5258
   Biowin2 (Non-Linear Model)     :   0.6454
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8849  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8723  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1776
   Biowin6 (MITI Non-Linear Model):   0.0925
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1930
 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):  0.0485 Pa (0.000364 mm Hg)
  Log Koa (Koawin est  ): 10.895
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.18E-005 
       Octanol/air (Koa) model:  0.0193 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00223 
       Mackay model           :  0.00492 
       Octanol/air (Koa) model:  0.607 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  59.6813 E-12 cm3/molecule-sec
      Half-Life =     0.179 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.151 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00357 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9555
      Log Koc:  3.980 

 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 = 3.098 (BCF = 1253)
       log Kow used: 4.93 (estimated)

 Volatilization from Water:
    Henry LC:  2.65E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  3.28E+004  hours   (1367 days)
    Half-Life from Model Lake : 3.579E+005  hours   (1.491E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              75.36  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    74.70  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       0.185           4.3          1000       
   Water     16.2            360          1000       
   Soil      67.7            720          1000       
   Sediment  15.9            3.24e+003    0          
     Persistence Time: 676 hr

    Click to predict properties on the Chemicalize site


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