ChemSpider 2D Image | S-[2-(Propionylamino)ethyl] tetradecanethioate | C19H37NO2S

S-[2-(Propionylamino)ethyl] tetradecanethioate

  • Molecular FormulaC19H37NO2S
  • Average mass343.568 Da
  • Monoisotopic mass343.254486 Da
  • ChemSpider ID22377745

More details:

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

S-[2-(Propionylamino)ethyl] tetradecanethioate [ACD/IUPAC Name]
S-[2-(Propionylamino)ethyl]-tetradecanthioat [German] [ACD/IUPAC Name]
Tétradécanethioate de S-[2-(propionylamino)éthyle] [French] [ACD/IUPAC Name]
Tetradecanethioic acid, S-[2-[(1-oxopropyl)amino]ethyl] ester [ACD/Index Name]
MYA
Tetradecanoyl-CoA

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

Density: 1.0±0.1 g/cm3
Boiling Point: 486.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.3±24.0 °C
Index of Refraction: 1.478
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66700.50
ACD/KOC (pH 5.5): 98785.30
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 66700.58
ACD/KOC (pH 7.4): 98785.41
Polar Surface Area: 71 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 359.2±3.0 cm3

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