ChemSpider 2D Image | (4R)-4-Methyl(7,7,8,8,8-~2~H_5_)octanoic acid | C9H13D5O2

(4R)-4-Methyl(7,7,8,8,8-2H5)octanoic acid

  • Molecular FormulaC9H13D5O2
  • Average mass163.269 Da
  • Monoisotopic mass163.162064 Da
  • ChemSpider ID115011333

  • 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

(4R)-4-Methyl(7,7,8,8,8-2H5)octanoic acid [ACD/IUPAC Name]
(4R)-4-Methyl(7,7,8,8,8-2H5)octansäure [German] [ACD/IUPAC Name]
Acide (4R)-4-méthyl(7,7,8,8,8-2H5)octanoïque [French] [ACD/IUPAC Name]
Octanoic-7,7,8,8,8-d5 acid, 4-methyl-, (4R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 253.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.0±6.0 kJ/mol
Flash Point: 129.7±6.9 °C
Index of Refraction: 1.439
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 18.65
ACD/KOC (pH 5.5): 168.35
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.70
Polar Surface Area: 37 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site


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