ChemSpider 2D Image | (2R,3r,4S)-3-Methyl-2,4-pentanediol | C6H14O2

(2R,3r,4S)-3-Methyl-2,4-pentanediol

  • Molecular FormulaC6H14O2
  • Average mass118.174 Da
  • Monoisotopic mass118.099380 Da
  • ChemSpider ID75145206

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3r,4S)-3-Methyl-2,4-pentandiol [German] [ACD/IUPAC Name]
(2R,3r,4S)-3-Methyl-2,4-pentanediol [ACD/IUPAC Name]
(2R,3r,4S)-3-Méthyl-2,4-pentanediol [French] [ACD/IUPAC Name]
2,4-Pentanediol, 3-methyl-, (2R,4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 211.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.1±6.0 kJ/mol
Flash Point: 91.3±13.0 °C
Index of Refraction: 1.443
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.25
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.25
Polar Surface Area: 40 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 123.7±3.0 cm3

Click to predict properties on the Chemicalize site


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