o-Phenetidine C8H11NO structure – Flashcards

Flashcard maker : Richard Molina

C8H11NO structure
Molecular Formula C8H11NO
Average mass 137.179 Da
Density 1.0±0.1 g/cm3
Boiling Point 231.9±13.0 °C at 760 mmHg
Flash Point 80.6±0.0 °C
Molar Refractivity 41.8±0.3 cm3
Polarizability 16.6±0.5 10-24cm3
Surface Tension 38.6±3.0 dyne/cm
Molar Volume 132.2±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -4 °C Alfa Aesar L08016
      -4 °C Jean-Claude Bradley Open Melting Point Dataset 8192
      -4 °C Oakwood 044850
      -20 °C Biosynth W-100189
      -4 °C LabNetwork LN00126093
    • Experimental Boiling Point:

      236-238 °C Alfa Aesar L08016
      236-238 °C Oakwood 044850
      232 °C Biosynth W-100189
      236-238 °C LabNetwork LN00126093
    • Experimental LogP:

      1.624 Vitas-M STL169148
    • Experimental Flash Point:

      80 °C Alfa Aesar L08016
      110 °C Biosynth W-100189
      80 °C LabNetwork LN00126093
    • Experimental Gravity:

      20 g/mL Merck Millipore 1697
      20 g/l Merck Millipore 1697, 807000
      1.051 g/mL Biosynth W-100189
      1.05 g/mL Oakwood 044850
      1.05 g/mL Fluorochem
      110 g/mL Biosynth W-100189
      1.05 g/l Fluorochem 044850
    • Experimental Refraction Index:

      1.555 Alfa Aesar L08016
  • Miscellaneous
    • Safety:

      Danger Biosynth W-100189
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar L08016
      GHS06; GHS08 Biosynth W-100189
      H301; H311; H331; H373 Biosynth W-100189
      IRRITANT Matrix Scientific 021811
      Irritant SynQuest 4630-1-05
      P261; P280; P301+P310; P311 Biosynth W-100189
      TOXIC Alfa Aesar L08016
  • Gas Chromatography
    • Retention Index (Kovats):

      1281 (estimated with error: 89) NIST Spectra mainlib_290843, replib_71230, replib_230133
    • Retention Index (Linear):

      1206.8 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 35 C; End T: 300 C; CAS no: 94702; Active phase: OV-1; Data type: Linear RI; Authors: Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 43(3/4), 1996, 163-176.) 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: 231.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 80.6±0.0 °C
Index of Refraction: 1.545
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.59
ACD/KOC (pH 5.5): 171.09
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.49
ACD/KOC (pH 7.4): 187.15
Polar Surface Area: 35 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 132.2±3.0 cm3

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

Get an explanation on any task
Get unstuck with the help of our AI assistant in seconds
New