ChemSpider 2D Image | N-Ethyl-2-methoxyethanamine | C5H13NO

N-Ethyl-2-methoxyethanamine

  • Molecular FormulaC5H13NO
  • Average mass103.163 Da
  • Monoisotopic mass103.099716 Da
  • ChemSpider ID476005

More details:

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

Ethanamine, N-ethyl-2-methoxy- [ACD/Index Name]
N-Ethyl-2-methoxyethanamin [German] [ACD/IUPAC Name]
N-Ethyl-2-methoxyethanamine [ACD/IUPAC Name]
N-Éthyl-2-méthoxyéthanamine [French] [ACD/IUPAC Name]
[34322-82-2] [RN]
2-Methoxydiethylamine
34322-82-2 [RN]
ethyl(2-methoxyethyl)amine
FS-4668
N-(2-Methoxyethyl)ethylamine

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

MFCD00144876 [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 102.2±13.0 °C at 760 mmHg
Vapour Pressure: 34.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.1±3.0 kJ/mol
Flash Point: 28.2±9.3 °C
Index of Refraction: 1.399
Molar Refractivity: 30.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 21 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 23.8±3.0 dyne/cm
Molar Volume: 126.2±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) =  0.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  117.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  17.3  (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: 0.04 (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 :   3.43E-007  atm-m3/mole
   Group Method:   4.15E-008  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.348E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.04  (KowWin est)
  Log Kaw used:  -4.853  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.893
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5049
   Biowin2 (Non-Linear Model)     :   0.3152
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9870  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7324  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5890
   Biowin6 (MITI Non-Linear Model):   0.6185
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6749
 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):  2.16E+003 Pa (16.2 mm Hg)
  Log Koa (Koawin est  ): 4.893
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.39E-009 
       Octanol/air (Koa) model:  1.92E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.02E-008 
       Mackay model           :  1.11E-007 
       Octanol/air (Koa) model:  1.53E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 110.0926 E-12 cm3/molecule-sec
      Half-Life =     0.097 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.166 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.06E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8.438
      Log Koc:  0.926 

 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: 0.04 (estimated)

 Volatilization from Water:
    Henry LC:  4.15E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.433E+004  hours   (597.1 days)
    Half-Life from Model Lake : 1.564E+005  hours   (6518 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.246           2.33         1000       
   Water     45.2            360          1000       
   Soil      54.5            720          1000       
   Sediment  0.0835          3.24e+003    0          
     Persistence Time: 384 hr

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