ChemSpider 2D Image | Bis(2-methoxyethyl)amine | C6H15NO2

Bis(2-methoxyethyl)amine

  • Molecular FormulaC6H15NO2
  • Average mass133.189 Da
  • Monoisotopic mass133.110275 Da
  • ChemSpider ID2291

More details:

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

111-95-5 [RN]
203-923-9 [EINECS]
2-Methoxy-N-(2-methoxyethyl)ethanamin [German] [ACD/IUPAC Name]
2-Methoxy-N-(2-methoxyethyl)ethanamine [ACD/IUPAC Name]
2-Méthoxy-N-(2-méthoxyéthyl)éthanamine [French] [ACD/IUPAC Name]
bis-(2-methoxyethyl)-amine
Bis(2-methoxyethyl)amine
Ethanamine, 2-methoxy-N- (2-methoxyethyl)-
Ethanamine, 2-methoxy-N-(2-methoxyethyl)- [ACD/Index Name]
2,2'-Dimethoxydiethylamine
More...

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

1736313 [DBID]
MFCD00025906 [DBID]
B48207_ALDRICH [DBID]
NCIOpen2_009189 [DBID]
NSC 78431 [DBID]
NSC78431 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 171.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.7±3.0 kJ/mol
Flash Point: 58.3±0.0 °C
Index of Refraction: 1.410
Molar Refractivity: 36.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 30 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 26.4±3.0 dyne/cm
Molar Volume: 149.1±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) =  -0.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  163.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -18.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.13  (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: -0.72 (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 :   4.02E-009  atm-m3/mole
   Group Method:   6.58E-011  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.733E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.72  (KowWin est)
  Log Kaw used:  -6.784  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.064
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1432
   Biowin2 (Non-Linear Model)     :   0.0096
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9119  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6794  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5506
   Biowin6 (MITI Non-Linear Model):   0.4846
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4437
 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):  259 Pa (1.94 mm Hg)
  Log Koa (Koawin est  ): 6.064
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.16E-008 
       Octanol/air (Koa) model:  2.84E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.19E-007 
       Mackay model           :  9.28E-007 
       Octanol/air (Koa) model:  2.28E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 139.4782 E-12 cm3/molecule-sec
      Half-Life =     0.077 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.920 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.73E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.562
      Log Koc:  0.194 

 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: -0.72 (estimated)

 Volatilization from Water:
    Henry LC:  6.58E-011 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.027E+007  hours   (4.279E+005 days)
    Half-Life from Model Lake :  1.12E+008  hours   (4.668E+006 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       0.00154         1.84         1000       
   Water     39              360          1000       
   Soil      61              720          1000       
   Sediment  0.0714          3.24e+003    0          
     Persistence Time: 577 hr

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