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Search term: MF = 'C_{25}H_{35}NO'
ChemSpider 2D Image | (E)-1-[4-(Nonyloxy)phenyl]-N-(4-propylphenyl)methanimine | C25H35NO

(E)-1-[4-(Nonyloxy)phenyl]-N-(4-propylphenyl)methanimine

  • Molecular FormulaC25H35NO
  • Average mass365.552 Da
  • Monoisotopic mass365.271851 Da
  • ChemSpider ID2034505

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-[4-(Nonyloxy)phenyl]-N-(4-propylphenyl)methanimin [German] [ACD/IUPAC Name]
(E)-1-[4-(Nonyloxy)phenyl]-N-(4-propylphenyl)methanimine [ACD/IUPAC Name]
(E)-1-[4-(Nonyloxy)phényl]-N-(4-propylphényl)méthanimine [French] [ACD/IUPAC Name]
Benzenamine, N-[(1E)-[4-(nonyloxy)phenyl]methylene]-4-propyl- [ACD/Index Name]
(E)-N-(4-(nonyloxy)benzylidene)-4-propylaniline
1-(4-NONOXYPHENYL)-N-(4-PROPYLPHENYL)METHANIMINE
88374-54-3 [RN]
BENZENAMINE, N-[[4-(NONYLOXY)PHENYL]METHYLENE]-4-PROPYL-
MFCD01846545
N-((1E)-(4-(nonyloxy)phenyl)methylidene)-4-propylaniline
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.9±0.1 g/cm3
    Boiling Point: 493.1±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 201.8±19.3 °C
    Index of Refraction: 1.515
    Molar Refractivity: 116.7±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 8.80
    ACD/LogD (pH 5.5): 9.17
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 2262060.00
    ACD/LogD (pH 7.4): 9.19
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 2391199.75
    Polar Surface Area: 22 Å2
    Polarizability: 46.3±0.5 10-24cm3
    Surface Tension: 33.8±7.0 dyne/cm
    Molar Volume: 387.3±7.0 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) =  8.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  450.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  164.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.75E-008  (Modified Grain method)
    Subcooled liquid VP: 4.82E-007 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):  0.0001711
       log Kow used: 8.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.8897e-005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Schiff Bases

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.09E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.920E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.74  (KowWin est)
  Log Kaw used:  -2.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.091
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8685
   Biowin2 (Non-Linear Model)     :   0.9232
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5567  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5980  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2657
   Biowin6 (MITI Non-Linear Model):   0.1542
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0810
 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):  6.43E-005 Pa (4.82E-007 mm Hg)
  Log Koa (Koawin est  ): 11.091
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0467 
       Octanol/air (Koa) model:  0.0303 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.628 
       Mackay model           :  0.789 
       Octanol/air (Koa) model:  0.708 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  55.0073 E-12 cm3/molecule-sec
      Half-Life =     0.194 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.333 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.708 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.146E+007
      Log Koc:  7.059 

 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 = 0.925 (BCF = 8.421)
       log Kow used: 8.74 (estimated)

 Volatilization from Water:
    Henry LC:  0.000109 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      12.22  hours
    Half-Life from Model Lake :      293.6  hours   (12.23 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.058           4.67         1000       
   Water     1.86            900          1000       
   Soil      29.7            1.8e+003     1000       
   Sediment  68.3            8.1e+003     0          
     Persistence Time: 3.21e+003 hr

    Click to predict properties on the Chemicalize site


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