ChemSpider 2D Image | Acetylene | C2H2

Acetylene

  • Molecular FormulaC2H2
  • Average mass26.037 Da
  • Monoisotopic mass26.015650 Da
  • ChemSpider ID6086

More details:






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

4-01-00-00939 [Beilstein]
74-86-2 [RN]
Acetylen [German] [ACD/IUPAC Name]
Acetylene [ACD/IUPAC Name] [Wiki]
Acétylène [French] [ACD/IUPAC Name]
Ethyne [ACD/Index Name]
vinylene
乙炔 [Chinese]
200-816-9 [EINECS]
More...

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

CHEBI:27518 [DBID]
UN 1001 [DBID]
C01548 [DBID]
c0526 [DBID]
HSDB 166 [DBID]
UN1001 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with a faint, ethereal odor. [Note: Commercial grade has a garlic-like odor. Shipped under pressure dissolved in acetone.] NIOSH AO9600000
      Colourless gas with garlic-like ordour Oxford University Chemical Safety Data (No longer updated)
    • Stability:

      Stable. Extremely flammable. Readily forms explosivemixtures with air. Even small amounts of acetylene/airmixtures (for example a balloon the size of a grapefruit) can produce damaging explosions if t he mix is closeto stoichiometric. Therefore acetylene/air explosions, if carried outas part of a chemistry show or a classroom demonstration,should be approached with extreme caution. Oxford University Chemical Safety Data (No longer updated)
    • Toxicity:

      http://ptcl.chem.ox.ac.uk/MSDS/AB/abamectin.html Oxford University Chemical Safety Data (No longer updated)
    • Safety:

      Safety glasses. Good ventilation. Use ear protection ifdoing an acetylene/air explosion as a demonstration and take appropriate precautionsto prevent harm to your audience! 2000 mg kg-1 Oxford University Chemical Safety Data (No longer updated)
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Fresh air NIOSH AO9600000
    • Exposure Routes:

      inhalation, skin and/or eye contact (liquid) NIOSH AO9600000
    • Symptoms:

      Headache, dizziness; asphyxia; liquid: frostbite NIOSH AO9600000
    • Target Organs:

      central nervous system, respiratory system NIOSH AO9600000
    • Incompatibility:

      Zinc; oxygen & other oxidizing agents such as halogens [Note: Forms explosive acetylide compounds with copper, mercury, silver & brasses (containing more than 66% copper).] NIOSH AO9600000
    • Personal Protection:

      Skin: Frostbite Eyes: Frostbite Wash skin: No recommendation Remove: When wet (flammable) Change: No recommendation Provide: Frostbite wash NIOSH AO9600000
    • Exposure Limits:

      NIOSH REL : C 2500 ppm (2662 mg/m 3 ) OSHA PEL : none NIOSH AO9600000
  • Gas Chromatography
    • Retention Index (Kovats):

      198 (estimated with error: 39) NIST Spectra mainlib_18810, replib_18811, replib_8
      195 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Description: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min; CAS no: 74862; Active phase: DB-1; Carrier gas: He; Phase thickness: 1.0 um; Data type: Kovats RI; Authors: Hoekman, S.K., Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions, J. Chromatogr., 639, 1993, 239-253.) NIST Spectra nist ri
      155 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 27 C; CAS no: 74862; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
      156 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 67 C; CAS no: 74862; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217., Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 86 C; CAS no: 74862; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
      157 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 49 C; CAS no: 74862; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      156 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 74862; 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
      176 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column length: 2 m; Column type: Packed; Heat rate: 5 K/min; Start T: 50 C; End T: 220 C; End time: 0 min; Start time: 0 min; CAS no: 74862; Active phase: Porapack Q; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Konukhova, S.V., Gas Chromatographic Identification of Ecologically Safe Freones, Vestn. of St. Petersburg Univ. (Rus.), , 1992, 66-70, In original 66-70., 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: 74862; 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
      155 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 74862; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Du, X., Quantitative structure-property relationship study on analysis of retention index of organic compound in gas chromatography, Chemical World (Chinese), 42(8), 2001, 403-406.) NIST Spectra nist ri
      165 (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: 74862; 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
      182 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 74862; Active phase: Porapack Q; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 13(1), 2004, 22-28.) NIST Spectra nist ri

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

Density: 0.6±0.1 g/cm3
Boiling Point: -84.0±9.0 °C at 760 mmHg
Vapour Pressure: 69690.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 21.1±0.8 kJ/mol
Flash Point: -118.7±12.9 °C
Index of Refraction: 1.316
Molar Refractivity: 9.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 40.62
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 40.62
Polar Surface Area: 0 Å2
Polarizability: 3.6±0.5 10-24cm3
Surface Tension: 16.0±3.0 dyne/cm
Molar Volume: 45.8±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) =  0.50
    Log Kow (Exper. database match) =  0.37
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -36.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -154.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.81E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -80.7 deg C
    BP  (exp database):  -84.7 deg C
    VP  (exp database):  4.04E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.476e+004
       log Kow used: 0.37 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1200 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12559 mg/L
    Wat Sol (Exper. database match) =  1200.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.40E-002  atm-m3/mole
   Group Method:   2.45E-002  atm-m3/mole
   Exper Database: 2.17E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.764E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.37  (exp database)
  Log Kaw used:  -0.052  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.422
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7351
   Biowin2 (Non-Linear Model)     :   0.9333
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1416  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8102  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6347
   Biowin6 (MITI Non-Linear Model):   0.8550
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4898
     BioHC Half-Life (days)     :   3.0886

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.39E+006 Pa (4.04E+004 mm Hg)
  Log Koa (Koawin est  ): 0.422
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.57E-013 
       Octanol/air (Koa) model:  6.49E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.01E-011 
       Mackay model           :  4.46E-011 
       Octanol/air (Koa) model:  5.19E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8150 E-12 cm3/molecule-sec
      Half-Life =    13.124 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 3.23E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 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: 0.37 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0217 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.5345  hours   (32.07 min)
    Half-Life from Model Lake :      48.62  hours   (2.026 days)

 Removal In Wastewater Treatment:
    Total removal:              89.42  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.41  percent
    Total to Air:               88.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.9            298          1000       
   Water     47.6            360          1000       
   Soil      1.44            720          1000       
   Sediment  0.089           3.24e+003    0          
     Persistence Time: 130 hr




                    

Click to predict properties on the Chemicalize site


Feedback Form