ChemSpider 2D Image | 2-(3-Chloro-1-butyn-1-yl)-5-ethynylthiophene | C10H7ClS

2-(3-Chloro-1-butyn-1-yl)-5-ethynylthiophene

  • Molecular FormulaC10H7ClS
  • Average mass194.681 Da
  • Monoisotopic mass193.995697 Da
  • ChemSpider ID92800045

More details:

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

2-(3-Chlor-1-butin-1-yl)-5-ethinylthiophen [German] [ACD/IUPAC Name]
2-(3-Chloro-1-butyn-1-yl)-5-ethynylthiophene [ACD/IUPAC Name]
2-(3-Chloro-1-butyn-1-yl)-5-éthynylthiophène [French] [ACD/IUPAC Name]
Thiophene, 2-(3-chloro-1-butyn-1-yl)-5-ethynyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 293.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.2±3.0 kJ/mol
Flash Point: 173.5±12.7 °C
Index of Refraction: 1.587
Molar Refractivity: 53.3±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.55
ACD/KOC (pH 5.5): 1541.65
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.55
ACD/KOC (pH 7.4): 1541.65
Polar Surface Area: 28 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 158.6±5.0 cm3

Click to predict properties on the Chemicalize site


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