Home Page Flashcards Trilaurin C39H74O6 structure - Flashcards

Trilaurin C39H74O6 structure – Flashcards

Flashcard maker : Kayden Hussain

Contents

Experimental Melting Point:
Predicted Melting Point:
Retention Index (Kovats):

C39H74O6 structure

Molecular Formula	C₃₉H₇₄O₆
Average mass	639.001 Da
Density	0.9±0.1 g/cm³
Boiling Point	643.3±22.0 °C at 760 mmHg
Flash Point	253.5±22.4 °C
Molar Refractivity	188.0±0.3 cm³
Polarizability	74.5±0.5 10^-24cm³
Surface Tension	34.5±3.0 dyne/cm
Molar Volume	683.1±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  47 °C TCI G0087
  
  46.5 °C Indofine
  [33-1200]
  ,
  [33-1200]
  
  46.5 °C Indofine
  [33-1200]
  ,
  [33-1200]
  ,
  [33-1200]
  
  46.5 °C FooDB FDB002906
Predicted Physico-chemical Properties
- Predicted Melting Point:
  
  47 °C TCI
  
  47 °C TCI G0087
Gas Chromatography
- Retention Index (Kovats):
  
  4336 (estimated with error: 47) NIST Spectra mainlib_233168, replib_36509, replib_154920

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

Density:	0.9±0.1 g/cm³
Boiling Point:	643.3±22.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization:	94.9±3.0 kJ/mol
Flash Point:	253.5±22.4 °C
Index of Refraction:	1.463
Molar Refractivity:	188.0±0.3 cm³
#H bond acceptors:	6
#H bond donors:	0
#Freely Rotating Bonds:	38
#Rule of 5 Violations:	2

ACD/LogP:	15.70
ACD/LogD (pH 5.5):	15.44
ACD/BCF (pH 5.5):	1000000.00
ACD/KOC (pH 5.5):	10000000.00
ACD/LogD (pH 7.4):	15.44
ACD/BCF (pH 7.4):	1000000.00
ACD/KOC (pH 7.4):	10000000.00
Polar Surface Area:	79 Å²
Polarizability:	74.5±0.5 10^-24cm³
Surface Tension:	34.5±3.0 dyne/cm
Molar Volume:	683.1±3.0 cm³

Click to predict properties on the Chemicalize site

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