ChemSpider 2D Image | {3-[3-(Trimethylsilyl)-1-propyn-1-yl]phenyl}methanethiol | C13H18SSi

{3-[3-(Trimethylsilyl)-1-propyn-1-yl]phenyl}methanethiol

  • Molecular FormulaC13H18SSi
  • Average mass234.432 Da
  • Monoisotopic mass234.089844 Da
  • ChemSpider ID86330957

More details:

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

{3-[3-(Trimethylsilyl)-1-propin-1-yl]phenyl}methanthiol [German] [ACD/IUPAC Name]
{3-[3-(Trimethylsilyl)-1-propyn-1-yl]phenyl}methanethiol [ACD/IUPAC Name]
{3-[3-(Triméthylsilyl)-1-propyn-1-yl]phényl}méthanethiol [French] [ACD/IUPAC Name]
Benzenemethanethiol, 3-[3-(trimethylsilyl)-1-propyn-1-yl]- [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: 329.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 153.1±25.1 °C
Index of Refraction: 1.532
Molar Refractivity: 73.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3097.51
ACD/KOC (pH 5.5): 10976.13
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3073.32
ACD/KOC (pH 7.4): 10890.41
Polar Surface Area: 39 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 33.6±5.0 dyne/cm
Molar Volume: 237.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement