ChemSpider 2D Image | 4-[(3,5-Diethynylphenyl)ethynyl]benzenethiol | C18H10S

4-[(3,5-Diethynylphenyl)ethynyl]benzenethiol

  • Molecular FormulaC18H10S
  • Average mass258.337 Da
  • Monoisotopic mass258.050323 Da
  • ChemSpider ID95901101

More details:

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

4-[(3,5-Diethinylphenyl)ethinyl]benzolthiol [German] [ACD/IUPAC Name]
4-[(3,5-Diethynylphenyl)ethynyl]benzenethiol [ACD/IUPAC Name]
4-[(3,5-Diéthynylphényl)éthynyl]benzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 4-[2-(3,5-diethynylphenyl)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: 447.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 227.2±26.7 °C
Index of Refraction: 1.675
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2548.74
ACD/KOC (pH 5.5): 8919.58
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 146.28
ACD/KOC (pH 7.4): 511.94
Polar Surface Area: 39 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 214.7±5.0 cm3

Click to predict properties on the Chemicalize site


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