ChemSpider 2D Image | 6-Benzyl-3-sec-butyl-13-(2-hexanyl)-9-isopropyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone | C29H45N3O5

6-Benzyl-3-sec-butyl-13-(2-hexanyl)-9-isopropyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

  • Molecular FormulaC29H45N3O5
  • Average mass515.685 Da
  • Monoisotopic mass515.335938 Da
  • ChemSpider ID9424358

More details:

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

1-Oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone, 9-(1-methylethyl)-13-(1-methylpentyl)-3-(1-methylpropyl)-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-3-sec-butyl-13-(2-hexanyl)-9-isopropyl-1-oxa-4,7,10-triazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
6-Benzyl-3-sec-butyl-13-(2-hexanyl)-9-isopropyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
6-Benzyl-3-sec-butyl-13-(2-hexanyl)-9-isopropyl-1-oxa-4,7,10-triazacyclotridécane-2,5,8,11-tétrone [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: 783.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 427.5±32.9 °C
Index of Refraction: 1.488
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 366.89
ACD/KOC (pH 5.5): 2383.94
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 366.89
ACD/KOC (pH 7.4): 2383.94
Polar Surface Area: 114 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 496.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement