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

3-Methyl-2-penten-4-yn-1-ol

  • Molecular FormulaC6H8O
  • Average mass96.127 Da
  • Monoisotopic mass96.057518 Da
  • ChemSpider ID21159454

More details:

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

105-29-3 [RN]
203-284-6 [EINECS]
2-Penten-4-yn-1-ol, 3-methyl- [ACD/Index Name]
3-Methyl-2-penten-4-in-1-ol [German] [ACD/IUPAC Name]
3-Methyl-2-penten-4-yn-1-ol [ACD/IUPAC Name]
3-Méthyl-2-pentén-4-yn-1-ol [French] [ACD/IUPAC Name]
(E)-3-Methylpent-2-en-4-yn-1-ol
(Z)-3-Methylpent-2-en-4-yn-1-ol
3-methylpent-2-en-4-yn-1-ol
6153-05-5 [RN]
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 170.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.4±6.0 kJ/mol
Flash Point: 65.6±0.0 °C
Index of Refraction: 1.481
Molar Refractivity: 29.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 72.54
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 72.54
Polar Surface Area: 20 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 102.3±3.0 cm3

Click to predict properties on the Chemicalize site


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