ChemSpider 2D Image | (3R)-3-Hydroxy-1-buten-1-one | C4H6O2

(3R)-3-Hydroxy-1-buten-1-one

  • Molecular FormulaC4H6O2
  • Average mass86.089 Da
  • Monoisotopic mass86.036781 Da
  • ChemSpider ID61387534

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Hydroxy-1-buten-1-on [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-1-buten-1-one [ACD/IUPAC Name]
(3R)-3-Hydroxy-1-butén-1-one [French] [ACD/IUPAC Name]
1-Buten-1-one, 3-hydroxy-, (3R)- [ACD/Index Name]
133885-60-6 [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: 144.5±19.0 °C at 760 mmHg
Vapour Pressure: 2.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.5±6.0 kJ/mol
Flash Point: 55.5±18.0 °C
Index of Refraction: 1.417
Molar Refractivity: 22.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.83
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.83
Polar Surface Area: 37 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 14.6±3.0 dyne/cm
Molar Volume: 88.4±3.0 cm3

Click to predict properties on the Chemicalize site


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