2-Ethoxybenzaldehyde C9H10O2 structure – Flashcards

Flashcard maker : Clarence Louder
C9H10O2 structure
Molecular Formula C9H10O2
Average mass 150.174 Da
Density 1.1±0.1 g/cm3
Boiling Point 247.9±13.0 °C at 760 mmHg
Flash Point 91.7±0.0 °C
Molar Refractivity 44.3±0.3 cm3
Polarizability 17.6±0.5 10-24cm3
Surface Tension 36.8±3.0 dyne/cm
Molar Volume 141.6±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      21 °C Jean-Claude Bradley Open Melting Point Dataset 26980
      20-22 °C LabNetwork LN00219816
      20-22 °C Indofine
      [01-650]
      ,
      [01-650]
    • Experimental Boiling Point:

      249 °C Alfa Aesar
      249 °C Alfa Aesar A15035
      136-138 °C (Literature) LabNetwork LN00219816
    • Experimental LogP:

      1.9218 Synthon-Lab
      [SL055847]
    • Experimental Flash Point:

      91 °C Alfa Aesar
      91 °C Alfa Aesar
      91 °F (32.7778 °C)
      Alfa Aesar A15035
      92 °C LabNetwork LN00219816
    • Experimental Gravity:

      1.077 g/mL Alfa Aesar A15035
    • Experimental Refraction Index:

      1.543 Alfa Aesar A15035
  • Miscellaneous
    • Appearance:

      Yellow liquid Novochemy
      [NC-30516]
    • Safety:

      20/21/36/37/39 Novochemy
      [NC-30516]
      26-37 Alfa Aesar A15035
      36/37/38 Alfa Aesar A15035
      36/37/38 Novochemy
      [NC-30516]
      GHS02; GHS07; GHS09 Novochemy
      [NC-30516]
      H315-H319-H335 Alfa Aesar A15035
      H332; H403 Novochemy
      [NC-30516]
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A15035
      P309+P311; P211; P242 Novochemy
      [NC-30516]
      R52/53 Novochemy
      [NC-30516]
      Warning Alfa Aesar A15035
      Warning Novochemy
      [NC-30516]
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A15035
  • Gas Chromatography
    • Retention Index (Kovats):

      1271 (estimated with error: 89) NIST Spectra mainlib_133381, replib_231981
      1283 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 140 C; CAS no: 613694; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Righezza, M.; Hassani, A.; Meklati, B.Y.; Chretien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 723, 1996, 77-91.) NIST Spectra nist ri
      1286.4 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 613694; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 33(5/6), 1992, 267-271.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 247.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 91.7±0.0 °C
Index of Refraction: 1.538
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.94
ACD/KOC (pH 5.5): 285.75
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.94
ACD/KOC (pH 7.4): 285.75
Polar Surface Area: 26 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

 

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