ChemSpider 2D Image | 2,2-Bis(4-methylphenyl)-N-(2-phenylethyl)cyclopropanecarboxamide | C26H27NO

2,2-Bis(4-methylphenyl)-N-(2-phenylethyl)cyclopropanecarboxamide

  • Molecular FormulaC26H27NO
  • Average mass369.499 Da
  • Monoisotopic mass369.209259 Da
  • ChemSpider ID2159135

More details:

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

2,2-Bis(4-methylphenyl)-N-(2-phenylethyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
2,2-Bis(4-methylphenyl)-N-(2-phenylethyl)cyclopropanecarboxamide [ACD/IUPAC Name]
2,2-Bis(4-méthylphényl)-N-(2-phényléthyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, 2,2-bis(4-methylphenyl)-N-(2-phenylethyl)- [ACD/Index Name]
2,2-bis(4-methylphenyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
2,2-Di-p-tolyl-cyclopropanecarboxylic acid phenethyl-amide
360049-75-8 [RN]
AC1MEVNN
AGN-PC-0KMEDJ
AKOS000605875
More...

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

AG-690/09007044 [DBID]
BAS 00313279 [DBID]
BIM-0037188.P001 [DBID]
CBMicro_037367 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 577.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.5±3.0 kJ/mol
    Flash Point: 351.4±15.1 °C
    Index of Refraction: 1.609
    Molar Refractivity: 114.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.33
    ACD/LogD (pH 5.5): 5.39
    ACD/BCF (pH 5.5): 7357.83
    ACD/KOC (pH 5.5): 20389.67
    ACD/LogD (pH 7.4): 5.39
    ACD/BCF (pH 7.4): 7357.83
    ACD/KOC (pH 7.4): 20389.69
    Polar Surface Area: 29 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 47.6±3.0 dyne/cm
    Molar Volume: 329.9±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) =  6.18

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  536.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  229.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.07E-011  (Modified Grain method)
    Subcooled liquid VP: 3.26E-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):  0.02477
       log Kow used: 6.18 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0030949 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.62E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.063E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.18  (KowWin est)
  Log Kaw used:  -9.179  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.359
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8900
   Biowin2 (Non-Linear Model)     :   0.9055
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9137  (months      )
   Biowin4 (Primary Survey Model) :   3.1659  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0227
   Biowin6 (MITI Non-Linear Model):   0.0138
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.0083
 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):  4.35E-007 Pa (3.26E-009 mm Hg)
  Log Koa (Koawin est  ): 15.359
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.9 
       Octanol/air (Koa) model:  561 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.996 
       Mackay model           :  0.998 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.8229 E-12 cm3/molecule-sec
      Half-Life =     0.371 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.453 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8.226E+006
      Log Koc:  6.915 

 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 = 4.060 (BCF = 1.149e+004)
       log Kow used: 6.18 (estimated)

 Volatilization from Water:
    Henry LC:  1.62E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.947E+007  hours   (2.895E+006 days)
    Half-Life from Model Lake : 7.579E+008  hours   (3.158E+007 days)

 Removal In Wastewater Treatment:
    Total removal:              92.79  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.01  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       0.0132          8.91         1000       
   Water     2.09            1.44e+003    1000       
   Soil      46              2.88e+003    1000       
   Sediment  51.9            1.3e+004     0          
     Persistence Time: 5.22e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement