ChemSpider 2D Image | 2-(Butyryloxy)-1,3-propanediyl dihexadecanoate | C39H74O6

2-(Butyryloxy)-1,3-propanediyl dihexadecanoate

  • Molecular FormulaC39H74O6
  • Average mass639.001 Da
  • Monoisotopic mass638.548523 Da
  • ChemSpider ID103876888

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,6-[2-(1-Oxobutoxy)-1,3-propanediyl] dihexadecanoate
2-(Butyryloxy)-1,3-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
2-(Butyryloxy)-1,3-propanediyl dihexadecanoate [ACD/IUPAC Name]
7331-54-6 [RN]
Dihexadécanoate de 2-(butyryloxy)-1,3-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 2-(1-oxobutoxy)-1,3-propanediyl ester [ACD/Index Name]
Hexadecanoic acid, 1,6-[2-(1-oxobutoxy)-1,3-propanediyl] ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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): 14.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.89
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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