ChemSpider 2D Image | N-(2-Methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide | C25H25NO2

N-(2-Methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide

  • Molecular FormulaC25H25NO2
  • Average mass371.471 Da
  • Monoisotopic mass371.188538 Da
  • ChemSpider ID2359059

More details:

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

Cyclopropanecarboxamide, N-(2-methoxyphenyl)-2,2-bis(4-methylphenyl)- [ACD/Index Name]
N-(2-Methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-(2-Methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide [ACD/IUPAC Name]
N-(2-Méthoxyphényl)-2,2-bis(4-méthylphényl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
[2,2-bis(4-methylphenyl)cyclopropyl]-N-(2-methoxyphenyl)carboxamide
2,2-Di-p-tolyl-cyclopropanecarboxylic acid (2-methoxy-phenyl)-amide
296800-82-3 [RN]
N-(2-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide

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

A0850/0039837 [DBID]
BAS 00394143 [DBID]
TimTec1_005332 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 548.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 285.5±30.1 °C
    Index of Refraction: 1.634
    Molar Refractivity: 112.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.19
    ACD/LogD (pH 5.5): 5.25
    ACD/BCF (pH 5.5): 5771.65
    ACD/KOC (pH 5.5): 17136.46
    ACD/LogD (pH 7.4): 5.25
    ACD/BCF (pH 7.4): 5772.12
    ACD/KOC (pH 7.4): 17137.83
    Polar Surface Area: 38 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 315.2±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) =  5.30

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  536.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  229.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2E-011  (Modified Grain method)
    Subcooled liquid VP: 3.18E-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):  0.1374
       log Kow used: 5.30 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0023921 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.25E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.115E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.30  (KowWin est)
  Log Kaw used:  -10.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.336
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8382
   Biowin2 (Non-Linear Model)     :   0.8913
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9041  (months      )
   Biowin4 (Primary Survey Model) :   3.3038  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2106
   Biowin6 (MITI Non-Linear Model):   0.0320
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.9368
 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):  4.24E-007 Pa (3.18E-009 mm Hg)
  Log Koa (Koawin est  ): 15.336
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.08 
       Octanol/air (Koa) model:  532 
   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 =  24.6976 E-12 cm3/molecule-sec
      Half-Life =     0.433 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.197 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    :  3.908E+005
      Log Koc:  5.592 

 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 = 3.379 (BCF = 2391)
       log Kow used: 5.30 (estimated)

 Volatilization from Water:
    Henry LC:  2.25E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.015E+008  hours   (2.09E+007 days)
    Half-Life from Model Lake : 5.471E+009  hours   (2.28E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              85.18  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    84.45  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       0.00322         10.4         1000       
   Water     4.94            1.44e+003    1000       
   Soil      66.6            2.88e+003    1000       
   Sediment  28.5            1.3e+004     0          
     Persistence Time: 3.89e+003 hr

    Click to predict properties on the Chemicalize site


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