ChemSpider 2D Image | (3R)-3-{4-[(4-Chlorophenyl)ethynyl]benzoyl}nonanoic acid | C24H25ClO3

(3R)-3-{4-[(4-Chlorophenyl)ethynyl]benzoyl}nonanoic acid

  • Molecular FormulaC24H25ClO3
  • Average mass396.906 Da
  • Monoisotopic mass396.149231 Da
  • ChemSpider ID25057095

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-{4-[(4-Chlorophenyl)ethynyl]benzoyl}nonanoic acid [ACD/IUPAC Name]
(3R)-3-{4-[(4-Chlorphenyl)ethinyl]benzoyl}nonansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-{4-[(4-chlorophényl)éthynyl]benzoyl}nonanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 4-[2-(4-chlorophenyl)ethynyl]-β-hexyl-γ-oxo-, (βR)- [ACD/Index Name]
HSI

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.0±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 14680.71
ACD/KOC (pH 5.5): 16986.32
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 231.21
ACD/KOC (pH 7.4): 267.52
Polar Surface Area: 54 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 331.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement