ChemSpider 2D Image | (2R,4R)-2,4-Dimethylhexanoic acid | C8H16O2

(2R,4R)-2,4-Dimethylhexanoic acid

  • Molecular FormulaC8H16O2
  • Average mass144.211 Da
  • Monoisotopic mass144.115036 Da
  • ChemSpider ID60901693

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-2,4-Dimethylhexanoic acid [ACD/IUPAC Name]
(2R,4R)-2,4-Dimethylhexansäure [German] [ACD/IUPAC Name]
Acide (2R,4R)-2,4-diméthylhexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2,4-dimethyl-, (2R,4R)- [ACD/Index Name]
130248-45-2 [RN]
MFCD19229635

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

Density: 0.9±0.1 g/cm3
Boiling Point: 230.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 51.5±6.0 kJ/mol
Flash Point: 104.8±9.8 °C
Index of Refraction: 1.434
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 7.64
ACD/KOC (pH 5.5): 90.80
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 37 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

Click to predict properties on the Chemicalize site


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