ChemSpider 2D Image | (3S)-2-Methyl-1-penten-4-yn-3-ol | C6H8O

(3S)-2-Methyl-1-penten-4-yn-3-ol

  • Molecular FormulaC6H8O
  • Average mass96.127 Da
  • Monoisotopic mass96.057518 Da
  • ChemSpider ID61500095

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2-Methyl-1-penten-4-in-3-ol [German] [ACD/IUPAC Name]
(3S)-2-Methyl-1-penten-4-yn-3-ol [ACD/IUPAC Name]
(3S)-2-Méthyl-1-pentén-4-yn-3-ol [French] [ACD/IUPAC Name]
1-Penten-4-yn-3-ol, 2-methyl-, (3S)- [ACD/Index Name]
1196079-44-3 [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: 135.5±20.0 °C at 760 mmHg
Vapour Pressure: 3.3±0.5 mmHg at 25°C
Enthalpy of Vaporization: 43.5±6.0 kJ/mol
Flash Point: 39.9±14.1 °C
Index of Refraction: 1.464
Molar Refractivity: 28.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 49.81
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 49.81
Polar Surface Area: 20 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 104.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement