ChemSpider 2D Image | (4R)-2-Methyl-4-propyl-1,3-oxathiane | C8H16OS

(4R)-2-Methyl-4-propyl-1,3-oxathiane

  • Molecular FormulaC8H16OS
  • Average mass160.277 Da
  • Monoisotopic mass160.092178 Da
  • ChemSpider ID28185213

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4R)-2-Methyl-4-propyl-1,3-oxathian [German] [ACD/IUPAC Name]
(4R)-2-Methyl-4-propyl-1,3-oxathiane [ACD/IUPAC Name]
(4R)-2-Méthyl-4-propyl-1,3-oxathiane [French] [ACD/IUPAC Name]
1,3-Oxathiane, 2-methyl-4-propyl-, (4R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 226.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 90.8±25.4 °C
Index of Refraction: 1.460
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.81
ACD/KOC (pH 5.5): 468.66
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.81
ACD/KOC (pH 7.4): 468.66
Polar Surface Area: 35 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 171.0±3.0 cm3

Click to predict properties on the Chemicalize site


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