ChemSpider 2D Image | (2S)-2-Methyl-1,2-butanediol | C5H12O2

(2S)-2-Methyl-1,2-butanediol

  • Molecular FormulaC5H12O2
  • Average mass104.148 Da
  • Monoisotopic mass104.083733 Da
  • ChemSpider ID29367419

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methyl-1,2-butandiol [German] [ACD/IUPAC Name]
(2S)-2-Methyl-1,2-butanediol [ACD/IUPAC Name]
(2S)-2-Méthyl-1,2-butanediol [French] [ACD/IUPAC Name]
1,2-Butanediol, 2-methyl-, (2S)- [ACD/Index Name]
33204-46-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 182.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.7±6.0 kJ/mol
Flash Point: 78.5±13.0 °C
Index of Refraction: 1.445
Molar Refractivity: 28.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.03
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.03
Polar Surface Area: 40 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 106.1±3.0 cm3

Click to predict properties on the Chemicalize site


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