ChemSpider 2D Image | 2,2-Dimethyl-5-[(2E)-3-(4-methylphenyl)-2-propen-1-ylidene]-1,3-dioxane-4,6-dione | C16H16O4

2,2-Dimethyl-5-[(2E)-3-(4-methylphenyl)-2-propen-1-ylidene]-1,3-dioxane-4,6-dione

  • Molecular FormulaC16H16O4
  • Average mass272.296 Da
  • Monoisotopic mass272.104858 Da
  • ChemSpider ID24724431

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(2E)-3-(4-methylphenyl)-2-propen-1-ylidene]- [ACD/Index Name]
2,2-Dimethyl-5-[(2E)-3-(4-methylphenyl)-2-propen-1-yliden]-1,3-dioxan-4,6-dion [German] [ACD/IUPAC Name]
2,2-Dimethyl-5-[(2E)-3-(4-methylphenyl)-2-propen-1-ylidene]-1,3-dioxane-4,6-dione [ACD/IUPAC Name]
2,2-Diméthyl-5-[(2E)-3-(4-méthylphényl)-2-propén-1-ylidène]-1,3-dioxane-4,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 272.1±28.5 °C
Index of Refraction: 1.617
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.70
ACD/KOC (pH 5.5): 384.78
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.70
ACD/KOC (pH 7.4): 384.78
Polar Surface Area: 53 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 222.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement