ChemSpider 2D Image | 2-Acetoxy-3-hydroxypropyl 4-(hexadecylamino)benzoate | C28H47NO5

2-Acetoxy-3-hydroxypropyl 4-(hexadecylamino)benzoate

  • Molecular FormulaC28H47NO5
  • Average mass477.677 Da
  • Monoisotopic mass477.345428 Da
  • ChemSpider ID23127785

More details:

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

2-(acetyloxy)-3-hydroxypropyl 4-(hexadecylamino)benzoate
2-Acetoxy-3-hydroxypropyl 4-(hexadecylamino)benzoate [ACD/IUPAC Name]
2-Acetoxy-3-hydroxypropyl-4-(hexadecylamino)benzoat [German] [ACD/IUPAC Name]
4-(Hexadécylamino)benzoate de 2-acétoxy-3-hydroxypropyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(hexadecylamino)-, 2-(acetyloxy)-3-hydroxypropyl ester [ACD/Index Name]
4-Hexadecylamino-benzoic acid 2-acetoxy-3-hydroxy-propyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 599.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.6±24.3 °C
Index of Refraction: 1.514
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 9.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2198026.50
ACD/LogD (pH 7.4): 9.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2198994.50
Polar Surface Area: 85 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 461.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement