Pyromellitic dianhydride C10H2O6 structure – Flashcards

Flashcard maker : Kenneth Miller

C10H2O6 structure
Molecular Formula C10H2O6
Average mass 218.119 Da
Density 1.9±0.1 g/cm3
Boiling Point 398.6±15.0 °C at 760 mmHg
Flash Point 183.5±20.4 °C
Molar Refractivity 45.1±0.3 cm3
Polarizability 17.9±0.5 10-24cm3
Surface Tension 94.7±3.0 dyne/cm
Molar Volume 115.7±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      283-288 °C SynQuest
      284-288 °C Alfa Aesar
      284-288 °C Merck Millipore 1761, 807516
      152.5 °C Jean-Claude Bradley Open Melting Point Dataset 26834
      284-288 °C Alfa Aesar A12712, 45788
      283-288 °C SynQuest 62218, 2H26-1-X8
      284 °C Biosynth W-100378
      283-286 °C LabNetwork LN00192689
    • Experimental Boiling Point:

      305-310 deg C / 30 mm (474.6016-480.9374 °C / 760 mmHg)
      Alfa Aesar
      305-310 °C / 30 mm (474.6016-480.9374 °C / 760 mmHg)
      Alfa Aesar A12712, 45788
      397-400 °C SynQuest 62218, 2H26-1-X8
      398 °C Biosynth W-100378
      397-400 °C LabNetwork LN00192689
    • Experimental Flash Point:

      380 °C Alfa Aesar
      380 °C Alfa Aesar
      380 °C Biosynth W-100378
      380 °F (193.3333 °C)
      Alfa Aesar A12712, 45788
      380 °C SynQuest 62218, 2H26-1-X8
      380 °C LabNetwork LN00192689
    • Experimental Gravity:

      1.68 g/mL Alfa Aesar A12712, 45788
      1.68 g/mL SynQuest 2H26-1-X8
      380 g/mL Biosynth W-100378
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      283-288 °C J&K Scientific 317760
  • Miscellaneous
    • Appearance:

      Not Available Novochemy
      [NC-29448]
    • Safety:

      20/21/22 Novochemy
      [NC-29448]
      20/21/36/37/39 Novochemy
      [NC-29448]
      22-24-26-37/39 Alfa Aesar 45788, A12712
      41-42/43 Alfa Aesar 45788, A12712
      Danger Alfa Aesar 45788, A12712
      Danger Biosynth W-100378
      GHS05; GHS08 Biosynth W-100378
      GHS07; GHS09 Novochemy
      [NC-29448]
      H317; H318; H334 Biosynth W-100378
      H332; H403 Novochemy
      [NC-29448]
      H334-H318-H317 Alfa Aesar 45788, A12712
      IRRITANT Matrix Scientific 091927
      Irritant/Corrosive/Moisture Sensitive/Store under Argon SynQuest 2H26-1-X8, 62218
      P261; P280; P305+P351+P338; P342+P311 Biosynth W-100378
      P285-P261-P280-P305+P351+P338-P310-P501a Alfa Aesar 45788, A12712
      P309+P311; P211; P242 Novochemy
      [NC-29448]
      R36/37/38,R41,R42/43 SynQuest 2H26-1-X8
      S3/7,S22,S24/25,S26,S36/37/39,S45 SynQuest 2H26-1-X8
      Warning Novochemy
      [NC-29448]
      WARNING: Causes CNS effects, skin, eye, & lung irritation Alfa Aesar A12712, 44064
      Xn Novochemy
      [NC-29448]
  • Gas Chromatography
    • Retention Index (Kovats):

      2206 (estimated with error: 89) NIST Spectra mainlib_228642, replib_115758, replib_125172

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

Density: 1.9±0.1 g/cm3
Boiling Point: 398.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 183.5±20.4 °C
Index of Refraction: 1.708
Molar Refractivity: 45.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 66.98
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 66.98
Polar Surface Area: 87 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 94.7±3.0 dyne/cm
Molar Volume: 115.7±3.0 cm3

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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