ChemSpider 2D Image | (2S)-2-[(3,3,3-~2~H_3_)Propyl]octanoic acid | C11H19D3O2

(2S)-2-[(3,3,3-2H3)Propyl]octanoic acid

  • Molecular FormulaC11H19D3O2
  • Average mass189.310 Da
  • Monoisotopic mass189.180817 Da
  • ChemSpider ID48059198
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2S)-2-[(3,3,3-2H3)Propyl]octanoic acid [ACD/IUPAC Name]
(2S)-2-[(3,3,3-2H3)Propyl]octansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[(3,3,3-2H3)propyl]octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2-(propyl-3,3,3-d3)-, (2S)- [ACD/Index Name]
(2S)-2-(3,3,3-trideuteriopropyl)octanoic acid
1246819-98-6 [RN]
S-(+)-Arundic Acid-d3

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

Density: 0.9±0.1 g/cm3
Boiling Point: 289.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.2±6.0 kJ/mol
Flash Point: 154.2±6.9 °C
Index of Refraction: 1.444
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 95.48
ACD/KOC (pH 5.5): 552.16
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 8.94
Polar Surface Area: 37 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 205.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement