ChemSpider 2D Image | methyl 2-(thian-4-yl)acetate | C8H14O2S

methyl 2-(thian-4-yl)acetate

  • Molecular FormulaC8H14O2S
  • Average mass174.261 Da
  • Monoisotopic mass174.071457 Da
  • ChemSpider ID30805497

More details:

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

1548627-52-6 [RN]
2H-Thiopyran-4-acetic acid, tetrahydro-, methyl ester [ACD/Index Name]
methyl 2-(thian-4-yl)acetate
Methyl tetrahydro-2H-thiopyran-4-ylacetate [ACD/IUPAC Name]
Methyl-tetrahydro-2H-thiopyran-4-ylacetat [German] [ACD/IUPAC Name]
Tétrahydro-2H-thiopyrane-4-ylacétate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-(tetrahydro-2H-thiopyran-4-yl)acetate
MFCD25981931

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

Density: 1.1±0.1 g/cm3
Boiling Point: 243.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 104.6±7.9 °C
Index of Refraction: 1.486
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.47
ACD/KOC (pH 5.5): 526.37
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.47
ACD/KOC (pH 7.4): 526.37
Polar Surface Area: 52 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 163.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement