ChemSpider 2D Image | (5S)-5-Hexyl-1,4-dioxan-2-one | C10H18O3

(5S)-5-Hexyl-1,4-dioxan-2-one

  • Molecular FormulaC10H18O3
  • Average mass186.248 Da
  • Monoisotopic mass186.125595 Da
  • ChemSpider ID34991653

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-Hexyl-1,4-dioxan-2-on [German] [ACD/IUPAC Name]
(5S)-5-Hexyl-1,4-dioxan-2-one [ACD/IUPAC Name]
(5S)-5-Hexyl-1,4-dioxan-2-one [French] [ACD/IUPAC Name]
1,4-Dioxan-2-one, 5-hexyl-, (5S)- [ACD/Index Name]
2-HEXYL-5 OR 6-KETO-1,4-DIOXANE
2-Hexyl-5-keto-1,4-dioxane
65504-97-4 [RN]
93691-78-2 [RN]
UNII-JIF6FD0DPG
UNII-P9EC4HV8X9

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

Density: 1.0±0.1 g/cm3
Boiling Point: 293.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 118.8±17.2 °C
Index of Refraction: 1.439
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.33
ACD/KOC (pH 5.5): 464.39
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.33
ACD/KOC (pH 7.4): 464.39
Polar Surface Area: 36 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 188.6±3.0 cm3

Click to predict properties on the Chemicalize site


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