Found 1 result

Search term: 104-79-0 (Found by approved synonym)
ChemSpider 2D Image | (2-(Diethylamino)ethyl)methylamine | C7H18N2

(2-(Diethylamino)ethyl)methylamine

  • Molecular FormulaC7H18N2
  • Average mass130.231 Da
  • Monoisotopic mass130.147003 Da
  • ChemSpider ID59425

More details:

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

(2-(Diethylamino)ethyl)methylamine
[2-(Diethylamino)ethyl]methylamine
1,2-Ethanediamine, N,N-diethyl-N'-methyl-
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl- [ACD/Index Name]
104-79-0 [RN]
2-(Diethylamino)-N-methylethylamine
203-238-5 [EINECS]
Ethylenediamine, N,N-diethyl-N'-methyl-
N,N-Diethyl-N'-methyl-1,2-ethandiamin [German] [ACD/IUPAC Name]
N,N-Diethyl-N'-methyl-1,2-ethanediamine [ACD/IUPAC Name]
More...

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

MFCD00009053 [DBID]
308099_ALDRICH [DBID]
NCIOpen2_003962 [DBID]
NSC 27480 [DBID]
NSC27480 [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: 153.6±8.0 °C at 760 mmHg
Vapour Pressure: 3.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.0±3.0 kJ/mol
Flash Point: 41.1±0.0 °C
Index of Refraction: 1.435
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 15 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 26.8±3.0 dyne/cm
Molar Volume: 160.2±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) =  0.51

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  161.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -19.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.38  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.45e+005
       log Kow used: 0.51 (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 :   1.93E-008  atm-m3/mole
   Group Method:   1.14E-008  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.182E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.51  (KowWin est)
  Log Kaw used:  -6.103  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.613
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6341
   Biowin2 (Non-Linear Model)     :   0.5116
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6810  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4151  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4720
   Biowin6 (MITI Non-Linear Model):   0.3585
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1962
 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):  288 Pa (2.16 mm Hg)
  Log Koa (Koawin est  ): 6.613
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.04E-008 
       Octanol/air (Koa) model:  1.01E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.76E-007 
       Mackay model           :  8.33E-007 
       Octanol/air (Koa) model:  8.05E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 169.3398 E-12 cm3/molecule-sec
      Half-Life =     0.063 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.758 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.05E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  205.8
      Log Koc:  2.313 

 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: 0.51 (estimated)

 Volatilization from Water:
    Henry LC:  1.14E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.861E+004  hours   (2442 days)
    Half-Life from Model Lake : 6.395E+005  hours   (2.665E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       0.0693          1.52         1000       
   Water     48.7            900          1000       
   Soil      51.2            1.8e+003     1000       
   Sediment  0.0964          8.1e+003     0          
     Persistence Time: 723 hr

Click to predict properties on the Chemicalize site


Advertisement