ChemSpider 2D Image | (8Z)-13-[Heptanoyl(methyl)amino]-8-tridecenoic acid | C21H39NO3

(8Z)-13-[Heptanoyl(methyl)amino]-8-tridecenoic acid

  • Molecular FormulaC21H39NO3
  • Average mass353.539 Da
  • Monoisotopic mass353.292999 Da
  • ChemSpider ID24625719

  • Double-bond stereo - Double-bond stereo

More details:

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

(8Z)-13-[Heptanoyl(methyl)amino]-8-tridecenoic acid [ACD/IUPAC Name]
(8Z)-13-[Heptanoyl(methyl)amino]-8-tridecensäure [German] [ACD/IUPAC Name]
8-Tridecenoic acid, 13-[methyl(1-oxoheptyl)amino]-, (8Z)- [ACD/Index Name]
Acide (8Z)-13-[heptanoyl(méthyl)amino]-8-tridécénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 510.9±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 262.8±28.2 °C
Index of Refraction: 1.481
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 2245.86
ACD/KOC (pH 5.5): 5164.30
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 35.99
ACD/KOC (pH 7.4): 82.76
Polar Surface Area: 58 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 367.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement