ChemSpider 2D Image | Ethylmethylamine | C3H9N

Ethylmethylamine

  • Molecular FormulaC3H9N
  • Average mass59.110 Da
  • Monoisotopic mass59.073498 Da
  • ChemSpider ID11718

More details:






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

624-78-2 [RN]
Ethanamine, N-methyl- [ACD/Index Name]
ethylamine, N-methyl-
Ethylmethylamine [Wiki]
Methylethylamine
N-ethyl methylamine
N-Ethylmethylamine
N-ethyl-N-methylamine
N-Methylethanamin [German] [ACD/IUPAC Name]
N-Methylethanamine [ACD/IUPAC Name]
More...

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

04323_FLUKA [DBID]
291145_ALDRICH [DBID]
e2 [DBID]
MFCD00009030 [DBID]
NSC7301 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      12/1/1934 12:00:00 AM Alfa Aesar L04372
      12-34 Alfa Aesar L04372
      3 Alfa Aesar L04372
      3/7-9-26-36/37/39-45 Alfa Aesar L04372
      CORROSIVE / HIGHLY FLAMMABLE Alfa Aesar L04372
      Danger Alfa Aesar L04372
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar L04372
      Dec-34 Alfa Aesar L04372
      H224-H314 Alfa Aesar L04372
      Highly Flammable/Corrosive/Harmful/Air Sensitive/Hygroscopic/Store under Argon/Keep Cold SynQuest 246, 3131-1-02
      P210-P260-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar L04372
      R11,R20/21/22,R35 SynQuest 3131-1-02
      S23,S24/25,S26,S36/37/39,S45 SynQuest 3131-1-02
  • Gas Chromatography
    • Retention Index (Kovats):

      518 (estimated with error: 83) NIST Spectra mainlib_79721
      482 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2.7 m; Column type: Packed; Start T: 100 C; CAS no: 624782; Active phase: Apiezon L; Carrier gas: N2; Substrate: Chromosorb GAW; Data type: Kovats RI; Authors: Golovnya, R.V.; Zhuravleva, N.L.; Svetlova, N.I.; Grigor'eva, D.N., Gas-chromatographic separation of secondary normal alphatic amines, J. Anal. Chem. USSR (Engl. Transl.), 35(10), 1980, 1280-1285, In original 1976-1981.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      492 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 624782; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.7±0.1 g/cm3
Boiling Point: 36.7±3.0 °C at 760 mmHg
Vapour Pressure: 488.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.2±3.0 kJ/mol
Flash Point: -37.5±8.8 °C
Index of Refraction: 1.368
Molar Refractivity: 19.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 12 Å2
Polarizability: 7.7±0.5 10-24cm3
Surface Tension: 18.2±3.0 dyne/cm
Molar Volume: 86.9±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) =  0.32
    Log Kow (Exper. database match) =  0.15
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  42.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -92.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  493  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  36.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: 0.15 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.485e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.21E-005  atm-m3/mole
   Group Method:   2.18E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.834E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.15  (exp database)
  Log Kaw used:  -3.044  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.194
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8732
   Biowin2 (Non-Linear Model)     :   0.9637
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0930  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8057  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6198
   Biowin6 (MITI Non-Linear Model):   0.7316
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8802
 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):  6.56E+004 Pa (492 mm Hg)
  Log Koa (Koawin est  ): 3.194
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.57E-011 
       Octanol/air (Koa) model:  3.84E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.65E-009 
       Mackay model           :  3.66E-009 
       Octanol/air (Koa) model:  3.07E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.1183 E-12 cm3/molecule-sec
      Half-Life =     0.146 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.755 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.66E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  24.72
      Log Koc:  1.393 

 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: 0.15 (expkow database)

 Volatilization from Water:
    Henry LC:  2.18E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      21.43  hours
    Half-Life from Model Lake :      298.3  hours   (12.43 days)

 Removal In Wastewater Treatment:
    Total removal:               3.03  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                1.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.69            3.51         1000       
   Water     48.6            360          1000       
   Soil      50.7            720          1000       
   Sediment  0.09            3.24e+003    0          
     Persistence Time: 299 hr




                    

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