ChemSpider 2D Image | 2-(3,6-Dihydro-2H-thiopyran-4-yl)-2-methylpropanoic acid | C9H14O2S

2-(3,6-Dihydro-2H-thiopyran-4-yl)-2-methylpropanoic acid

  • Molecular FormulaC9H14O2S
  • Average mass186.271 Da
  • Monoisotopic mass186.071457 Da
  • ChemSpider ID49562463

More details:

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

2-(3,6-Dihydro-2H-thiopyran-4-yl)-2-methylpropanoic acid [ACD/IUPAC Name]
2-(3,6-Dihydro-2H-thiopyran-4-yl)-2-methylpropansäure [German] [ACD/IUPAC Name]
2H-Thiopyran-4-acetic acid, 3,6-dihydro-α,α-dimethyl- [ACD/Index Name]
Acide 2-(3,6-dihydro-2H-thiopyrane-4-yl)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
1780589-66-3 [RN]
MFCD32203224

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

Density: 1.2±0.1 g/cm3
Boiling Point: 317.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.4±6.0 kJ/mol
Flash Point: 145.7±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 43.31
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 158.1±3.0 cm3

Click to predict properties on the Chemicalize site


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