dimethyl ether C2H6O structure

C2H6O structure
Molecular Formula C2H6O
Average mass 46.068 Da
Density 0.7±0.1 g/cm3
Boiling Point -29.5±3.0 °C at 760 mmHg
Flash Point -85.9±5.7 °C
Molar Refractivity 13.1±0.3 cm3
Polarizability 5.2±0.5 10-24cm3
Surface Tension 14.0±3.0 dyne/cm
Molar Volume 67.9±3.0 cm3
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless gas Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Extremely flammable. Note low flash point. May form explosive mixtureswith air. May form peroxides during prolonged storage. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Extremely flammable SynQuest 2107-1-01
      R12 SynQuest 2107-1-01
      S9,S16,S33 SynQuest 2107-1-01
      Safety glasses. Good ventilation. Remove all sources of ignitionfrom working area. Oxford University Chemical Safety Data (No longer updated) More details
  • Gas Chromatography
    • Retention Index (Kovats):

      296 (estimated with error: 68) NIST Spectra mainlib_78, replib_18887
      323 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2.1 m; Column type: Packed; Start T: 130 C; CAS no: 115106; Active phase: Apiezon M; Carrier gas: N2; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Golovnya, R.V.; Garbuzov, V.G., Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography, Izv. Akad. Nauk SSSR Ser. Khim., 7, 1974, 1519-1521, In original 1599-1601., Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 6 m; Column type: Packed; Start T: 50 C; CAS no: 115106; Active phase: Squalane; Carrier gas: N2; Substrate: Chromosorb W-AM; Data type: Kovats RI; Authors: Becerra, M.R.; Sanchez, E.F.; Dominguez, J.A.G.; Munoz, J.G.; Molera, M.J., The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetal, J. Chromatogr. Sci., 20, 1982, 363-366.) NIST Spectra nist ri
      325 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 6 m; Column type: Packed; Start T: 50 C; CAS no: 115106; Active phase: Squalane; Carrier gas: N2; Substrate: Chromosorb W-AM; Data type: Kovats RI; Authors: Becerra, M.R.; Sanchez, E.F.; Dominguez, J.A.G.; Munoz, J.G.; Molera, M.J., The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetal, J. Chromatogr. Sci., 20, 1982, 363-366.) NIST Spectra nist ri
      324 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 120 C; CAS no: 115106; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
      331 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 115106; Active phase: Apiezon L; Substrate: Celite 545; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      327 (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: 115106; 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., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 115106; 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
      350 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 115106; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      328 (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: 115106; 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
      524 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column type: Capillary; CAS no: 115106; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) 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: -29.5±3.0 °C at 760 mmHg
Vapour Pressure: 4784.2±0.0 mmHg at 25°C
Enthalpy of Vaporization: 21.5±0.0 kJ/mol
Flash Point: -85.9±5.7 °C
Index of Refraction: 1.309
Molar Refractivity: 13.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.75
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.75
Polar Surface Area: 9 Å2
Polarizability: 5.2±0.5 10-24cm3
Surface Tension: 14.0±3.0 dyne/cm
Molar Volume: 67.9±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) = 0.07
 Log Kow (Exper. database match) = 0.10
 Exper. Ref: Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): -6.68 (Adapted Stein & Brown method)
 Melting Pt (deg C): -128.10 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 3.85E+003 (Mean VP of Antoine & Grain methods)
 MP (exp database): -141.5 deg C
 BP (exp database): -24.8 deg C
 VP (exp database): 4.45E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1.093e+005
 log Kow used: 0.10 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 3.53e+005 mg/L (25 deg C)
 Exper. Ref: RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 3.505e+005 mg/L
 Wat Sol (Exper. database match) = 353000.00
 Exper. Ref: RIDDICK,JA ET AL. (1986)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 8.62E-004 atm-m3/mole
 Group Method: 4.99E-004 atm-m3/mole
 Exper Database: 1.31E-03 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 4.215E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.10 (exp database)
 Log Kaw used: -1.271 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 1.371
 Log Koa (experimental database): 1.370

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.3783
 Biowin2 (Non-Linear Model) : 0.2545
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0887 (weeks )
 Biowin4 (Primary Survey Model) : 3.7715 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.5774
 Biowin6 (MITI Non-Linear Model): 0.7554
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.4197
 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): 5.93E+005 Pa (4.45E+003 mm Hg)
 Log Koa (Exp database): 1.370
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.06E-012 
 Octanol/air (Koa) model: 5.75E-012 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.83E-010 
 Mackay model : 4.04E-010 
 Octanol/air (Koa) model: 4.6E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.6592 E-12 cm3/molecule-sec
 Half-Life = 6.446 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 77.358 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 2.94E-010 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.292
 Log Koc: 0.111 

 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: 0.10 (expkow database)

 Volatilization from Water:
 Henry LC: 0.00131 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 0.996 hours (59.76 min)
 Half-Life from Model Lake : 67.78 hours (2.824 days)

 Removal In Wastewater Treatment:
 Total removal: 36.13 percent
 Total biodegradation: 0.07 percent
 Total sludge adsorption: 1.23 percent
 Total to Air: 34.84 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 32.9 86.1 1000 
 Water 53.2 360 1000 
 Soil 13.8 720 1000 
 Sediment 0.0984 3.24e+003 0 
 Persistence Time: 131 hr




 

Click to predict properties on the Chemicalize site

Tagged In :

Get help with your homework


image
Haven't found the Essay You Want? Get your custom essay sample For Only $13.90/page

Sarah from studyhippoHi there, would you like to get such a paper? How about receiving a customized one?

Check it out