ChemSpider 2D Image | Methyl 4-(2-hydroxy-2-propanyl)tetrahydro-2H-thiopyran-4-carboxylate | C10H18O3S

Methyl 4-(2-hydroxy-2-propanyl)tetrahydro-2H-thiopyran-4-carboxylate

  • Molecular FormulaC10H18O3S
  • Average mass218.313 Da
  • Monoisotopic mass218.097672 Da
  • ChemSpider ID37682465

More details:

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

2H-Thiopyran-4-carboxylic acid, tetrahydro-4-(1-hydroxy-1-methylethyl)-, methyl ester [ACD/Index Name]
4-(2-Hydroxy-2-propanyl)tétrahydro-2H-thiopyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(2-hydroxy-2-propanyl)tetrahydro-2H-thiopyran-4-carboxylate [ACD/IUPAC Name]
Methyl-4-(2-hydroxy-2-propanyl)tetrahydro-2H-thiopyran-4-carboxylat [German] [ACD/IUPAC Name]
1541620-38-5 [RN]
methyl 4-(2-hydroxypropan-2-yl)thiane-4-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 309.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.7±6.0 kJ/mol
Flash Point: 140.7±23.7 °C
Index of Refraction: 1.516
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.17
ACD/KOC (pH 5.5): 220.30
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.17
ACD/KOC (pH 7.4): 220.30
Polar Surface Area: 72 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 189.2±3.0 cm3

Click to predict properties on the Chemicalize site


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