ChemSpider 2D Image | 3-(1-azepanylazo)benzoic acid | C13H17N3O2

3-(1-azepanylazo)benzoic acid

  • Molecular FormulaC13H17N3O2
  • Average mass247.293 Da
  • Monoisotopic mass247.132080 Da
  • ChemSpider ID26399486

More details:

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

3-(1-azepanylazo)benzoic acid
3-[(E)-1-Azepanyldiazenyl]benzoesäure [German] [ACD/IUPAC Name]
3-[(E)-1-Azepanyldiazenyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[(E)-1-azépanyldiazényl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(E)-2-(hexahydro-1H-azepin-1-yl)diazenyl]- [ACD/Index Name]
3-(AZEPAN-1-YLDIAZENYL)BENZOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 421.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 208.5±29.3 °C
Index of Refraction: 1.609
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 17.27
ACD/KOC (pH 5.5): 123.24
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.97
Polar Surface Area: 65 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 199.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement