ChemSpider 2D Image | UK5076000 | C5H6O2

UK5076000

  • Molecular FormulaC5H6O2
  • Average mass98.100 Da
  • Monoisotopic mass98.036781 Da
  • ChemSpider ID21170126

More details:

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

2-Propin-1-yl-acetat [German] [ACD/IUPAC Name]
2-Propyn-1-ol, 1-acetate
2-Propyn-1-ol, acetate [ACD/Index Name]
2-Propyn-1-yl acetate [ACD/IUPAC Name]
627-09-8 [RN]
Acétate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
MFCD00041601 [MDL number]
Prop-2-yn-1-yl acetate
PROPARGYL ACETATE
UK5076000
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

543128_ALDRICH [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      10/22/2013 12:00:00 AM Alfa Aesar L10031
      10-22 Alfa Aesar L10031
      22-Oct Alfa Aesar L10031
      3 Alfa Aesar L10031
      36 Alfa Aesar L10031
      Danger Alfa Aesar L10031
      DANGER: FLAMMABLE, POISON, irritates skin and eyes. Alfa Aesar L10031
      FLAMMABLE / HARMFUL Alfa Aesar L10031
      H301-H226 Alfa Aesar L10031
      P261-P280f-P309-P310 Alfa Aesar L10031
  • Gas Chromatography

    • Retention Index (Kovats):

      683 (estimated with error: 47) NIST Spectra mainlib_118128, replib_983

    • Retention Index (Linear):

      672 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.30 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; CAS no: 627098; Active phase: SE-30; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XXVI. Separation of Unsaturated Alcohols and Their Acetyl and Haloacetyl Derivatives on Capillary Columns Coated with SE-30 and OV-351, J. Chromatogr., 288, 1984, 329-346.) NIST Spectra nist ri
      1215 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; CAS no: 627098; Active phase: OV-351; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XXVI. Separation of Unsaturated Alcohols and Their Acetyl and Haloacetyl Derivatives on Capillary Columns Coated with SE-30 and OV-351, J. Chromatogr., 288, 1984, 329-346.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 122.4±13.0 °C at 760 mmHg
Vapour Pressure: 14.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.0±3.0 kJ/mol
Flash Point: 28.3±17.2 °C
Index of Refraction: 1.419
Molar Refractivity: 24.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.05
ACD/KOC (pH 5.5): 58.14
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 58.14
Polar Surface Area: 26 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 98.3±3.0 cm3

Click to predict properties on the Chemicalize site


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