ChemSpider 2D Image | 4-Isothiocyanato-1-butyne | C5H5NS

4-Isothiocyanato-1-butyne

  • Molecular FormulaC5H5NS
  • Average mass111.165 Da
  • Monoisotopic mass111.014267 Da
  • ChemSpider ID44693756

More details:

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

1-Butyne, 4-isothiocyanato- [ACD/Index Name]
4-Isothiocyanato-1-butin [German] [ACD/IUPAC Name]
4-Isothiocyanato-1-butyne [ACD/IUPAC Name]
4-Isothiocyanato-1-butyne [French] [ACD/IUPAC Name]
1341389-73-8 [RN]
4-isothiocyanatobut-1-yne
MFCD19642450

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

Density: 0.9±0.1 g/cm3
Boiling Point: 186.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.5±3.0 kJ/mol
Flash Point: 60.2±30.4 °C
Index of Refraction: 1.484
Molar Refractivity: 35.8±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.98
ACD/KOC (pH 5.5): 275.27
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.98
ACD/KOC (pH 7.4): 275.27
Polar Surface Area: 44 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 28.3±7.0 dyne/cm
Molar Volume: 125.1±7.0 cm3

Click to predict properties on the Chemicalize site


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