ChemSpider 2D Image | 5-Ethynyl-3-thiophenecarboxylic acid | C7H4O2S

5-Ethynyl-3-thiophenecarboxylic acid

  • Molecular FormulaC7H4O2S
  • Average mass152.171 Da
  • Monoisotopic mass151.993195 Da
  • ChemSpider ID61535435

More details:

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

3-Thiophenecarboxylic acid, 5-ethynyl- [ACD/Index Name]
5-Ethinyl-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Ethynyl-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-éthynyl-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
1849280-96-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 318.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 146.4±23.7 °C
Index of Refraction: 1.623
Molar Refractivity: 38.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.09
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 108.5±5.0 cm3

Click to predict properties on the Chemicalize site


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