ChemSpider 2D Image | N-{4-[(2S)-2-Butanyl]phenyl}-3-chloropropanamide | C13H18ClNO

N-{4-[(2S)-2-Butanyl]phenyl}-3-chloropropanamide

  • Molecular FormulaC13H18ClNO
  • Average mass239.741 Da
  • Monoisotopic mass239.107697 Da
  • ChemSpider ID32787721

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{4-[(2S)-2-Butanyl]phenyl}-3-chloropropanamide [ACD/IUPAC Name]
N-{4-[(2S)-2-Butanyl]phényl}-3-chloropropanamide [French] [ACD/IUPAC Name]
N-{4-[(2S)-2-Butanyl]phenyl}-3-chlorpropanamid [German] [ACD/IUPAC Name]
Propanamide, 3-chloro-N-[4-[(1S)-1-methylpropyl]phenyl]- [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: 389.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.6±25.9 °C
Index of Refraction: 1.547
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 625.60
ACD/KOC (pH 5.5): 3492.92
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 625.62
ACD/KOC (pH 7.4): 3493.03
Polar Surface Area: 29 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 217.0±3.0 cm3

Click to predict properties on the Chemicalize site


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