ChemSpider 2D Image | (6S)-2,6-Dimethyloctanoic acid | C10H20O2

(6S)-2,6-Dimethyloctanoic acid

  • Molecular FormulaC10H20O2
  • Average mass172.265 Da
  • Monoisotopic mass172.146332 Da
  • ChemSpider ID75150078

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6S)-2,6-Dimethyloctanoic acid [ACD/IUPAC Name]
(6S)-2,6-Dimethyloctansäure [German] [ACD/IUPAC Name]
Acide (6S)-2,6-diméthyloctanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2,6-dimethyl-, (6S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 268.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 123.2±9.8 °C
Index of Refraction: 1.441
Molar Refractivity: 49.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 38.03
ACD/KOC (pH 5.5): 285.69
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.63
Polar Surface Area: 37 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 189.0±3.0 cm3

Click to predict properties on the Chemicalize site


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