ChemSpider 2D Image | (2S,6S)-2-Ethyl-6-isopropyl-6H-1,3-oxathiine | C9H16OS

(2S,6S)-2-Ethyl-6-isopropyl-6H-1,3-oxathiine

  • Molecular FormulaC9H16OS
  • Average mass172.288 Da
  • Monoisotopic mass172.092178 Da
  • ChemSpider ID24211534
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,6S)-2-Ethyl-6-isopropyl-6H-1,3-oxathiin [German] [ACD/IUPAC Name]
(2S,6S)-2-Ethyl-6-isopropyl-6H-1,3-oxathiine [ACD/IUPAC Name]
(2S,6S)-2-Éthyl-6-isopropyl-6H-1,3-oxathiine [French] [ACD/IUPAC Name]
6H-1,3-Oxathiin, 2-ethyl-6-(1-methylethyl)-, (2S,6S)- [ACD/Index Name]
149141-45-7 [RN]
6H-1,3-Oxathiin, 2-ethyl-6-(1-methylethyl)-, cis- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 247.1±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 103.3±27.1 °C
Index of Refraction: 1.479
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 60.04
ACD/KOC (pH 5.5): 652.59
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 60.04
ACD/KOC (pH 7.4): 652.59
Polar Surface Area: 35 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 28.3±3.0 dyne/cm
Molar Volume: 180.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement