ChemSpider 2D Image | 4-[(Chloroacetyl)(hexadecyl)amino]benzoic acid | C25H40ClNO3

4-[(Chloroacetyl)(hexadecyl)amino]benzoic acid

  • Molecular FormulaC25H40ClNO3
  • Average mass438.043 Da
  • Monoisotopic mass437.269684 Da
  • ChemSpider ID108634534

More details:

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

4-[(Chloracetyl)(hexadecyl)amino]benzoesäure [German] [ACD/IUPAC Name]
4-[(Chloroacetyl)(hexadecyl)amino]benzoic acid [ACD/IUPAC Name]
Acide 4-[(2-chloroacétyl)(hexadécyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2-chloroacetyl)hexadecylamino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.4±25.9 °C
Index of Refraction: 1.525
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 561964.81
ACD/KOC (pH 5.5): 203686.77
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 14105.85
ACD/KOC (pH 7.4): 5112.73
Polar Surface Area: 58 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

Click to predict properties on the Chemicalize site


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