DL-carvone C10H14O structure – Flashcards

Flashcard maker : Matthew Carle

C10H14O structure
Molecular Formula C10H14O
Average mass 150.218 Da
Density 0.9±0.1 g/cm3
Boiling Point 230.5±35.0 °C at 760 mmHg
Flash Point 88.9±0.0 °C
Molar Refractivity 45.5±0.3 cm3
Polarizability 18.0±0.5 10-24cm3
Surface Tension 29.8±3.0 dyne/cm
Molar Volume 159.8±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Boiling Point:

      230 °C Biosynth W-100036
      231 °C (Oil) FooDB FDB014587, FDB014614
    • Experimental LogP:

      2.265 Vitas-M STK801456
    • Experimental Flash Point:

      89 °C Biosynth W-100036
    • Experimental Gravity:

      89 g/mL Biosynth W-100036
  • Miscellaneous
    • Safety:

      P261; P262 Biosynth W-100036
  • Gas Chromatography
    • Retention Index (Kovats):

      1190 (estimated with error: 57) NIST Spectra mainlib_114678, mainlib_107135, mainlib_232310, replib_30272, replib_57667, replib_28079, replib_229168, replib_249278, replib_44033

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

Density: 0.9±0.1 g/cm3
Boiling Point: 230.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 88.9±0.0 °C
Index of Refraction: 1.481
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.31
ACD/KOC (pH 5.5): 796.41
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.31
ACD/KOC (pH 7.4): 796.41
Polar Surface Area: 17 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 159.8±3.0 cm3

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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