ChemSpider 2D Image | 5-(Hydroxymethyl)-3-{1-[(3-methylbenzyl)amino]hexadecylidene}-2,4(3H,5H)-furandione | C29H45NO4

5-(Hydroxymethyl)-3-{1-[(3-methylbenzyl)amino]hexadecylidene}-2,4(3H,5H)-furandione

  • Molecular FormulaC29H45NO4
  • Average mass471.672 Da
  • Monoisotopic mass471.334869 Da
  • ChemSpider ID28521352

More details:

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

2,4(3H,5H)-Furandione, 5-(hydroxymethyl)-3-[1-[[(3-methylphenyl)methyl]amino]hexadecylidene]- [ACD/Index Name]
5-(Hydroxymethyl)-3-{1-[(3-methylbenzyl)amino]hexadecyliden}-2,4(3H,5H)-furandion [German] [ACD/IUPAC Name]
5-(Hydroxymethyl)-3-{1-[(3-methylbenzyl)amino]hexadecylidene}-2,4(3H,5H)-furandione [ACD/IUPAC Name]
5-(Hydroxyméthyl)-3-{1-[(3-méthylbenzyl)amino]hexadécylidène}-2,4(3H,5H)-furanedione [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: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.0±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 961679.44
ACD/KOC (pH 5.5): 666898.81
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 962925.13
ACD/KOC (pH 7.4): 667762.69
Polar Surface Area: 76 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 450.1±3.0 cm3

Click to predict properties on the Chemicalize site


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