ChemSpider 2D Image | (2S,3S)-2,3-Dimethyl-1,2-pentanediol | C7H16O2

(2S,3S)-2,3-Dimethyl-1,2-pentanediol

  • Molecular FormulaC7H16O2
  • Average mass132.201 Da
  • Monoisotopic mass132.115036 Da
  • ChemSpider ID61431243

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2,3-Dimethyl-1,2-pentandiol [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Dimethyl-1,2-pentanediol [ACD/IUPAC Name]
(2S,3S)-2,3-Diméthyl-1,2-pentanediol [French] [ACD/IUPAC Name]
1,2-Pentanediol, 2,3-dimethyl-, (2S,3S)- [ACD/Index Name]
804565-93-3 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 198.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.6±6.0 kJ/mol
Flash Point: 83.0±13.0 °C
Index of Refraction: 1.450
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 63.84
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 63.84
Polar Surface Area: 40 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 139.5±3.0 cm3

Click to predict properties on the Chemicalize site


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