ChemSpider 2D Image | 1-{3-[(Trimethylsilyl)ethynyl]phenyl}ethanethiol | C13H18SSi

1-{3-[(Trimethylsilyl)ethynyl]phenyl}ethanethiol

  • Molecular FormulaC13H18SSi
  • Average mass234.432 Da
  • Monoisotopic mass234.089844 Da
  • ChemSpider ID91043592

More details:

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

1-{3-[(Trimethylsilyl)ethinyl]phenyl}ethanthiol [German] [ACD/IUPAC Name]
1-{3-[(Trimethylsilyl)ethynyl]phenyl}ethanethiol [ACD/IUPAC Name]
1-{3-[(Triméthylsilyl)éthynyl]phényl}éthanethiol [French] [ACD/IUPAC Name]
Benzenemethanethiol, α-methyl-3-[2-(trimethylsilyl)ethynyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 294.1±32.0 °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: 131.7±25.1 °C
Index of Refraction: 1.531
Molar Refractivity: 73.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3680.27
ACD/KOC (pH 5.5): 12417.88
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3672.95
ACD/KOC (pH 7.4): 12393.17
Polar Surface Area: 39 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 32.7±5.0 dyne/cm
Molar Volume: 238.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement