ChemSpider 2D Image | Octadecyl 4-aminobutanoate | C22H45NO2

Octadecyl 4-aminobutanoate

  • Molecular FormulaC22H45NO2
  • Average mass355.598 Da
  • Monoisotopic mass355.345032 Da
  • ChemSpider ID28720567

More details:






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

4-Aminobutanoate d'octadécyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-amino-, octadecyl ester [ACD/Index Name]
Octadecyl 4-aminobutanoate [ACD/IUPAC Name]
Octadecyl-4-aminobutanoat [German] [ACD/IUPAC Name]
109974-08-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 448.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 268.6±21.5 °C
Index of Refraction: 1.460
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 1000.10
ACD/KOC (pH 5.5): 658.20
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 7290.35
ACD/KOC (pH 7.4): 4798.00
Polar Surface Area: 52 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 398.8±3.0 cm3

Click to predict properties on the Chemicalize site






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