Ethylamine C2H7N structure – Flashcards

Flashcard maker : Daniel Thompson

Molecular Formula C2H7N
Average mass 45.084 Da
Density 0.7±0.1 g/cm3
Boiling Point 14.2±3.0 °C at 760 mmHg
Flash Point -17.2±0.0 °C
Molar Refractivity 14.9±0.3 cm3
Polarizability 5.9±0.5 10-24cm3
Surface Tension 21.7±3.0 dyne/cm
Molar Volume 65.2±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -81 °C Alfa Aesar
      -81 °C Oxford University Chemical Safety Data (No longer updated) More details
      -81 °C Jean-Claude Bradley Open Melting Point Dataset 15777
      -81.2 °C Jean-Claude Bradley Open Melting Point Dataset 21310
      -81 °C Alfa Aesar A15022
      222 °C Biosynth W-200290
      0.803 °C LabNetwork LN00164490
      -80 °C FooDB FDB003242
    • Experimental Boiling Point:

      38 °C Alfa Aesar
      62 F (16.6667 °C)
      NIOSH KH2100000
      17 °C Food and Agriculture Organization of the United Nations Ethylamine
      17 °C Oxford University Chemical Safety Data (No longer updated) More details
      39.5 °C Arkema
      [ARK11]
      38 °C Alfa Aesar A15022
      227.7 °C Biosynth W-200290
      16.6 °C FooDB FDB003242
    • Experimental Ionization Potent:

      8.86 Ev NIOSH KH2100000
    • Experimental Vapor Pressure:

      874 mmHg NIOSH KH2100000
    • Experimental LogP:

      -0.13 Egon Willighagen http://dx.doi.org/10.1021/ci050282s
    • Experimental Flash Point:

      -17 °C Alfa Aesar
      1 F (-17.2222 °C)
      NIOSH KH2100000
      -17 °C Oxford University Chemical Safety Data (No longer updated) More details
      -17 °C Alfa Aesar
      -17 °F (-27.2222 °C)
      Alfa Aesar A15022
      -24 °C LabNetwork LN00164490
    • Experimental Freezing Point:

      -114 F (-81.1111 °C)
      NIOSH KH2100000
    • Experimental Gravity:

      0 g/mL Arkema
      [ARK11]
      0.856 g/mL Alfa Aesar H32306
      0.803 g/mL Alfa Aesar A15022
      97.3 g/mL Biosynth W-200290
    • Experimental Refraction Index:

      1.384 Alfa Aesar A15022
    • Experimental Solubility:

      Miscible NIOSH KH2100000
  • Miscellaneous
    • Appearance:

      Colorless gas or water-white liquid (below 62F) with an ammonia-like odor. [Note: Shipped as a liquefied compressed gas.] NIOSH KH2100000
      Colourless to yellow gas; Ammonia fishy aroma Food and Agriculture Organization of the United Nations Ethylamine
      light yellow liquid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Highly flammable. Incompatible with oxidizing agents, alkali metals, alkaline earth metals,acids, many reactive organic and inorganic compounds. Reacts with or disssolvesmost types of paint, p
      lastic and rubber. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      SKN-RBT LD50 390 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      11-36/37 Alfa Aesar A15022
      12-19-36/37 Alfa Aesar H32306
      15-16-26-33 Alfa Aesar A15022
      16-26 Alfa Aesar H32306
      3 Alfa Aesar A15022, H32306
      Danger Alfa Aesar A15022, H32306
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar A15022
      H224-H311-H302-H319-H335-EUH019 Alfa Aesar H32306
      H225-H319-H335 Alfa Aesar A15022
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A15022
      P210-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar H32306
      Safety glasses, good ventilation, butyl rubber gloves. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately (liquid) Skin: Water flush immediately (liquid) Breathing: Respiratory support Swallow: Medical attention immediately (liquid) NIOSH KH2100000
    • Exposure Routes:

      inhalation, skin absorption (liquid), ingestion (liquid), skin and/or eye contact (liquid) NIOSH KH2100000
    • Symptoms:

      Irritation eyes, skin, respiratory system; skin burns, dermatitis NIOSH KH2100000
    • Target Organs:

      Eyes, skin, respiratory system NIOSH KH2100000
    • Incompatibility:

      Strong acids; strong oxidizers; copper, tin & zinc in presence of moisture; cellulose nitrate; chlorine; hypochlorites NIOSH KH2100000
    • Personal Protection:

      Skin: Prevent skin contact (liquid) Eyes: Prevent eye contact (liquid) Wash skin: When contaminated (liquid) Remove: When wet or contaminated (liquid) Change: No recommendation Provide: Eyewash (liqui
      d), Quick drench (liquid) NIOSH KH2100000
    • Exposure Limits:

      NIOSH REL : TWA 10 ppm (18 mg/m 3 ) OSHA PEL : TWA 10 ppm (18 mg/m 3 ) NIOSH KH2100000
  • Gas Chromatography
    • Retention Index (Kovats):

      463 (estimated with error: 83) NIST Spectra mainlib_71, replib_228576
      370 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 180 C; CAS no: 75047; Active phase: PMS-100; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      379 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 150 C; CAS no: 75047; Active phase: PMS-100; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      390 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 130 C; CAS no: 75047; Active phase: PMS-100; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      458 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 100 C; CAS no: 75047; Active phase: Apiezon L; Data type: Kovats RI; Authors: Golovnya, R.V.; Zhuravleva, I.L., Gas Chromatographic Method of Identification of n-Aliphatic Amines Through the Use of Donor-Acceptor Interaction with Phosphate, Chromatographia, 6(12), 1973, 508-513.) NIST Spectra nist ri
      441 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.26 m; Column type: Packed; Start T: 130 C; CAS no: 75047; Active phase: Apiezon L; Substrate: Teflon-Haloport; Data type: Kovats RI; Authors: Landault, C.; Guiochon, G., Separation des amines par chromatographie gaz-liquide en utilisant le teflon comme support, J. Chromatogr., 13, 1964, 327-336.) NIST Spectra nist ri
      712 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 179 C; CAS no: 75047; Active phase: PEG-2000; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      717 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 152 C; CAS no: 75047; Active phase: PEG-2000; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      458 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75047; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 24(10), 2007, 1404-1408.) NIST Spectra nist ri
      408 (Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 60 m; Column type: Capillary; Description: 40C(6min)=>5C/min=>80C=>10C/min=>200C; CAS no: 75047; Active phase: SPB-1; Carrier gas: He; Phase thickness: 5 um; Data type: Normal alkane RI; Authors: Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56.) NIST Spectra nist ri
      410 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75047; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 32(5), 1996, 656-666, In original 656-666.) NIST Spectra nist ri
    • Retention Index (Linear):

      413 (Program type: Complex; Column… (show more) class: Standard non-polar; Column length: 3.05 m; Column type: Packed; Description: 40C(5min)=>10C/min =>200C or 250C (60min); CAS no: 75047; Active phase: SE-30; Substrate: Supelcoport; Chromosorb; Data type: Linear RI; Authors: Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 436, 1988, 137-172., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 75047; Active phase: Methyl Silicone; Data type: Linear RI; Authors: Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 586, 1991, 113-129.) 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: 14.2±3.0 °C at 760 mmHg
Vapour Pressure: 1132.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 26.2±3.0 kJ/mol
Flash Point: -17.2±0.0 °C
Index of Refraction: 1.373
Molar Refractivity: 14.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 26 Å2
Polarizability: 5.9±0.5 10-24cm3
Surface Tension: 21.7±3.0 dyne/cm
Molar Volume: 65.2±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) = -0.15
 Log Kow (Exper. database match) = -0.13
 Exper. Ref: Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 36.90 (Adapted Stein & Brown method)
 Melting Pt (deg C): -84.86 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 1.04E+003 (Mean VP of Antoine & Grain methods)
 MP (exp database): -80.5 deg C
 BP (exp database): 16.5 deg C
 VP (exp database): 1.05E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -0.13 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
 Exper. Ref: MERCK INDEX (1996)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 1000000.00
 Exper. Ref: MERCK INDEX (1996)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.01E-005 atm-m3/mole
 Group Method: 8.68E-006 atm-m3/mole
 Exper Database: 1.23E-05 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 4.508E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -0.13 (exp database)
 Log Kaw used: -3.299 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 3.169
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8799
 Biowin2 (Non-Linear Model) : 0.9701
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.1240 (weeks )
 Biowin4 (Primary Survey Model) : 3.8260 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.6611
 Biowin6 (MITI Non-Linear Model): 0.8004
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.9598
 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): 1.4E+005 Pa (1.05E+003 mm Hg)
 Log Koa (Koawin est ): 3.169
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 2.14E-011 
 Octanol/air (Koa) model: 3.62E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 7.74E-010 
 Mackay model : 1.71E-009 
 Octanol/air (Koa) model: 2.9E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 29.8535 E-12 cm3/molecule-sec
 Half-Life = 0.358 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 4.299 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.24E-009 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 17.84
 Log Koc: 1.251 

 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: -0.13 (expkow database)

 Volatilization from Water:
 Henry LC: 1.23E-005 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 32.64 hours (1.36 days)
 Half-Life from Model Lake : 412.4 hours (17.18 days)

 Removal In Wastewater Treatment:
 Total removal: 2.52 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 percent
 Total to Air: 0.68 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 1.49 9.26 1000 
 Water 48.2 360 1000 
 Soil 50.2 720 1000 
 Sediment 0.0888 3.24e+003 0 
 Persistence Time: 317 hr




 

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