tri-n-dodecylamine C36H75N structure – Flashcards

Flashcard maker : Rae Jordan

Molecular Formula C36H75N
Average mass 521.987 Da
Density 0.8±0.1 g/cm3
Boiling Point 544.6±0.0 °C at 760 mmHg
Flash Point 256.6±18.4 °C
Molar Refractivity 172.6±0.3 cm3
Polarizability 68.4±0.5 10-24cm3
Surface Tension 31.3±3.0 dyne/cm
Molar Volume 630.0±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      14-16 °C Alfa Aesar
      15 °C Jean-Claude Bradley Open Melting Point Dataset 8665
      14-16 °C Alfa Aesar L04479
      15.7 °C FooDB FDB016967
    • Experimental Boiling Point:

      220-228 deg C / 0.03 mmHg (664.7229-679.3176 °C / 760 mmHg)
      Alfa Aesar
      220-228 °C / 0.03 mmHg (664.7229-679.3176 °C / 760 mmHg)
      Alfa Aesar L04479
      0.03 °C / 220 mmHg (33.468 °C / 760 mmHg)
      FooDB FDB016967
    • Experimental Flash Point:

      190 °C Alfa Aesar
      190 °C Alfa Aesar
      190 °F (87.7778 °C)
      Alfa Aesar L04479
      190 °C LabNetwork LN00199609
    • Experimental Gravity:

      20 g/mL Merck Millipore 3202
      20 g/l Merck Millipore 3202, 821160
      0.823 g/mL Alfa Aesar L04479
    • Experimental Refraction Index:

      1.4578 Alfa Aesar L04479
      25 FooDB FDB016967
  • Miscellaneous
    • Safety:

      26-37 Alfa Aesar L04479
      36/38 Alfa Aesar L04479
      H315-H319 Alfa Aesar L04479
      IRRITANT Alfa Aesar L04479
      P280-P305+P351+P338-P362-P321-P332+P313-P337+P313 Alfa Aesar L04479
      Warning Alfa Aesar L04479
      WARNING: Irritates skin and eyes Alfa Aesar L04479
  • Gas Chromatography
    • Retention Index (Kovats):

      3649 (estimated with error: 83) NIST Spectra mainlib_342373, replib_161745

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

Density: 0.8±0.1 g/cm3
Boiling Point: 544.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 256.6±18.4 °C
Index of Refraction: 1.460
Molar Refractivity: 172.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 17.60
ACD/LogD (pH 5.5): 13.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 3 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 630.0±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