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ChemSpider 2D Image | 2-(2-Methoxyethoxy)ethanamine | C5H13NO2

2-(2-Methoxyethoxy)ethanamine

  • Molecular FormulaC5H13NO2
  • Average mass119.162 Da
  • Monoisotopic mass119.094627 Da
  • ChemSpider ID454052

More details:






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

1-(2-aminoethoxy)-2-methoxyethane
2-(2-Methoxyethoxy)ethanamin [German] [ACD/IUPAC Name]
2-(2-Methoxyethoxy)ethanamine [ACD/IUPAC Name]
2-(2-Méthoxyéthoxy)éthanamine [French] [ACD/IUPAC Name]
31576-51-9 [RN]
Ethanamine, 2-(2-methoxyethoxy)- [ACD/Index Name]
Ethylamine, 2-(2-methoxyethoxy)-,
MFCD09032941 [MDL number]
[31576-51-9] [RN]
1-(2-Aminoethoxy)-2-methoxy ethane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 163.7±15.0 °C at 760 mmHg
    Vapour Pressure: 2.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.0±3.0 kJ/mol
    Flash Point: 54.1±27.7 °C
    Index of Refraction: 1.420
    Molar Refractivity: 32.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -1.01
    ACD/LogD (pH 5.5): -3.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 44 Å2
    Polarizability: 12.8±0.5 10-24cm3
    Surface Tension: 30.5±3.0 dyne/cm
    Molar Volume: 127.5±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) =  -1.19
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  158.75  (Adapted Stein & Brown method)
        Melting Pt (deg C):  -10.15  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  2.66  (Mean VP of Antoine & Grain methods)
    
     Water Solubility Estimate from Log Kow (WSKOW v1.41):
        Water Solubility at 25 deg C (mg/L):  1e+006
           log Kow used: -1.19 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  1e+006 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aliphatic Amines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.83E-009  atm-m3/mole
       Group Method:   2.94E-011  atm-m3/mole
     Henrys LC [VP/WSol estimate using EPI values]:  4.171E-007 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  -1.19  (KowWin est)
      Log Kaw used:  -7.126  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  5.936
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.1499
       Biowin2 (Non-Linear Model)     :   0.0117
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.9429  (weeks       )
       Biowin4 (Primary Survey Model) :   3.6996  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.5919
       Biowin6 (MITI Non-Linear Model):   0.5803
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.5233
     Ready Biodegradability Prediction:   YES
    
    Hydrocarbon Biodegradation (BioHCwin v1.01):
        Structure incompatible with current estimation method!
    
     Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
      Vapor pressure (liquid/subcooled):  324 Pa (2.43 mm Hg)
      Log Koa (Koawin est  ): 5.936
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  9.26E-009 
           Octanol/air (Koa) model:  2.12E-007 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  3.34E-007 
           Mackay model           :  7.41E-007 
           Octanol/air (Koa) model:  1.69E-005 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  73.2547 E-12 cm3/molecule-sec
          Half-Life =     0.146 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     1.752 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 5.38E-007 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  1.127
          Log Koc:  0.052 
    
     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 = 0.500 (BCF = 3.162)
           log Kow used: -1.19 (estimated)
    
     Volatilization from Water:
        Henry LC:  2.94E-011 atm-m3/mole  (estimated by Group SAR Method)
        Half-Life from Model River: 2.174E+007  hours   (9.058E+005 days)
        Half-Life from Model Lake : 2.371E+008  hours   (9.881E+006 days)
    
     Removal In Wastewater Treatment:
        Total removal:               1.85  percent
        Total biodegradation:        0.09  percent
        Total sludge adsorption:     1.75  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       0.000692        3.5          1000       
       Water     39              360          1000       
       Soil      60.9            720          1000       
       Sediment  0.0713          3.24e+003    0          
         Persistence Time: 579 hr
    
    
    
    
                        

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