ChemSpider 2D Image | 5-(3-Carboxy-1-propyn-1-yl)-4-chloro-2-thiophenecarboxylic acid | C9H5ClO4S

5-(3-Carboxy-1-propyn-1-yl)-4-chloro-2-thiophenecarboxylic acid

  • Molecular FormulaC9H5ClO4S
  • Average mass244.652 Da
  • Monoisotopic mass243.959702 Da
  • ChemSpider ID83401224

More details:

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

2-Thiophenecarboxylic acid, 5-(3-carboxy-1-propyn-1-yl)-4-chloro- [ACD/Index Name]
5-(3-Carboxy-1-propin-1-yl)-4-chlor-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(3-Carboxy-1-propyn-1-yl)-4-chloro-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(3-carboxy-1-propyn-1-yl)-4-chloro-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 511.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.3±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 88.0±5.0 dyne/cm
Molar Volume: 145.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement