ChemSpider 2D Image | Ethyl (1-cyclohexyl-1H-1,2,3-triazol-5-yl)[(diisopropoxyphosphoryl)oxy]acetate | C18H32N3O6P

Ethyl (1-cyclohexyl-1H-1,2,3-triazol-5-yl)[(diisopropoxyphosphoryl)oxy]acetate

  • Molecular FormulaC18H32N3O6P
  • Average mass417.437 Da
  • Monoisotopic mass417.202881 Da
  • ChemSpider ID74839727

More details:

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

(1-Cyclohexyl-1H-1,2,3-triazol-5-yl)[(diisopropoxyphosphoryl)oxy]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-5-acetic acid, α-[[bis(1-methylethoxy)phosphinyl]oxy]-1-cyclohexyl-, ethyl ester [ACD/Index Name]
Ethyl (1-cyclohexyl-1H-1,2,3-triazol-5-yl)[(diisopropoxyphosphoryl)oxy]acetate [ACD/IUPAC Name]
Ethyl-(1-cyclohexyl-1H-1,2,3-triazol-5-yl)[(diisopropoxyphosphoryl)oxy]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 520.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.3±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 103.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.15
ACD/KOC (pH 5.5): 886.74
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.15
ACD/KOC (pH 7.4): 886.74
Polar Surface Area: 112 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 322.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement