Found 25 results

Search term: MF = 'C_{26}H_{44}N_{2}'
ChemSpider 2D Image | 1,1'-[1,4-Phenylenebis(methylene)]bis(2,2,6,6-tetramethylpiperidine) | C26H44N2

1,1'-[1,4-Phenylenebis(methylene)]bis(2,2,6,6-tetramethylpiperidine)

  • Molecular FormulaC26H44N2
  • Average mass384.641 Da
  • Monoisotopic mass384.350464 Da
  • ChemSpider ID6510476

More details:

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

1,1'-(1,4-Phenylendimethylen)bis(2,2,6,6-tetramethylpiperidin) [German] [ACD/IUPAC Name]
1,1'-(1,4-Phénylènediméthylène)bis(2,2,6,6-tétraméthylpipéridine) [French] [ACD/IUPAC Name]
1,1'-[1,4-Phenylenebis(methylene)]bis(2,2,6,6-tetramethylpiperidine) [ACD/IUPAC Name]
Piperidine, 1,1'-[1,4-phenylenebis(methylene)]bis[2,2,6,6-tetramethyl- [ACD/Index Name]
2,2,6,6-tetramethyl-1-{4-[(2,2,6,6-tetramethyl-1-piperidinyl)methyl]benzyl}piperidine

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

AM-814/41091015 [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: 430.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 185.9±11.0 °C
Index of Refraction: 1.501
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 12.18
ACD/KOC (pH 5.5): 14.24
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 12.45
ACD/KOC (pH 7.4): 14.55
Polar Surface Area: 6 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 415.9±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) =  6.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  424.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  177.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.37E-008  (Modified Grain method)
    Subcooled liquid VP: 2.06E-006 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):  0.05977
       log Kow used: 6.81 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.25173 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.66E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.547E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.81  (KowWin est)
  Log Kaw used:  -6.168  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.978
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.5818
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9911  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.1030  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2883
   Biowin6 (MITI Non-Linear Model):   0.0011
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -4.4036
 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):  0.000275 Pa (2.06E-006 mm Hg)
  Log Koa (Koawin est  ): 12.978
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0109 
       Octanol/air (Koa) model:  2.33 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.283 
       Mackay model           :  0.466 
       Octanol/air (Koa) model:  0.995 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 165.0918 E-12 cm3/molecule-sec
      Half-Life =     0.065 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.777 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.375 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.043E+006
      Log Koc:  6.703 

 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 = 4.541 (BCF = 3.472e+004)
       log Kow used: 6.81 (estimated)

 Volatilization from Water:
    Henry LC:  1.66E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.918E+004  hours   (2882 days)
    Half-Life from Model Lake : 7.548E+005  hours   (3.145E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              93.74  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.96  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       0.00532         1.55         1000       
   Water     0.85            4.32e+003    1000       
   Soil      44              8.64e+003    1000       
   Sediment  55.1            3.89e+004    0          
     Persistence Time: 1.11e+004 hr

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