P-METHYLPHENYLACETALDEHYDE C9H10O structure Flashcard

C9H10O structure
Molecular FormulaC9H10O
Average mass134.175 Da
Density1.0±0.1 g/cm3
Boiling Point220.1±9.0 °C at 760 mmHg
Flash Point102.1±10.2 °C
Molar Refractivity40.8±0.3 cm3
Polarizability16.2±0.5 10-24cm3
Surface Tension35.0±3.0 dyne/cm
Molar Volume135.8±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      40 °C Jean-Claude Bradley Open Melting Point Dataset 26917
      40 °C FooDB FDB000809
    • Experimental Boiling Point:

      10 °C / 96 mmHg (67.2561 °C / 760 mmHg)
      FooDB FDB000809
    • Experimental Gravity:

      1.025 g/mL Fluorochem
      1.025 g/l Fluorochem 065191
  • Miscellaneous
    • Appearance:

      Not Available Novochemy
      [NC-00093]
    • Safety:

      20/21/22 Novochemy
      [NC-00093]
      20/21/36/37/39 Novochemy
      [NC-00093]
      GHS07; GHS09 Novochemy
      [NC-00093]
      H304; H332; H403 Novochemy
      [NC-00093]
      IRRITANT Matrix Scientific 081611
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy
      [NC-00093]
      Warning Novochemy
      [NC-00093]
      Xn Novochemy
      [NC-00093]
  • Gas Chromatography
    • Retention Index (Kovats):

      1195 (estimated with error: 45) NIST Spectra mainlib_134093
      1119.9 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.35 mm; Column length: 40 m; Column type: Capillary; Start T: 100 C; CAS no: 104096; Active phase: SE-30; Phase thickness: 0.35 um; Data type: Kovats RI; Authors: Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 779, 1997, 287-297.) NIST Spectra nist ri
      1772 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column type: Capillary; Start T: 150 C; CAS no: 104096; Active phase: Carbowax 20M; Phase thickness: 0.45 um; Data type: Kovats RI; Authors: Tudor, E.; Moldovan, D.; Zarna, N., Temperature dependence of the retention index for perfumery compounds on two carbowax-20M glass capillary columns with different film thickness. 2, Rev. Roum. Chim., 44(7), 1999, 665-675.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: 220.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 102.1±10.2 °C
Index of Refraction: 1.513
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.16
ACD/KOC (pH 5.5): 350.12
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.16
ACD/KOC (pH 7.4): 350.12
Polar Surface Area: 17 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 135.8±3.0 cm3

Click to predict properties on the Chemicalize site

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