ChemSpider 2D Image | 5-[(1-Carboxynonyl)(4-chlorobutyl)amino]-2-hydroxybenzoic acid | C21H32ClNO5

5-[(1-Carboxynonyl)(4-chlorobutyl)amino]-2-hydroxybenzoic acid

  • Molecular FormulaC21H32ClNO5
  • Average mass413.935 Da
  • Monoisotopic mass413.196899 Da
  • ChemSpider ID108616395

More details:

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

5-[(1-Carboxynonyl)(4-chlorbutyl)amino]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[(1-Carboxynonyl)(4-chlorobutyl)amino]-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[(1-carboxynonyl)(4-chlorobutyl)amino]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[(1-carboxynonyl)(4-chlorobutyl)amino]-2-hydroxy- [ACD/Index 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: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 30.42
ACD/KOC (pH 5.5): 40.41
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 10.34
ACD/KOC (pH 7.4): 13.74
Polar Surface Area: 98 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 342.9±3.0 cm3

Click to predict properties on the Chemicalize site


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