ChemSpider 2D Image | 1-Cyanoethyl thiocyanate | C4H4N2S

1-Cyanoethyl thiocyanate

  • Molecular FormulaC4H4N2S
  • Average mass112.153 Da
  • Monoisotopic mass112.009521 Da
  • ChemSpider ID73938037

More details:

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

1-Cyanethylthiocyanat [German] [ACD/IUPAC Name]
1-Cyanoethyl thiocyanate [ACD/IUPAC Name]
Thiocyanate de 1-cyanoéthyle [French] [ACD/IUPAC Name]
Thiocyanic acid, 1-cyanoethyl ester [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: 241.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.9±3.0 kJ/mol
Flash Point: 100.1±22.6 °C
Index of Refraction: 1.505
Molar Refractivity: 28.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 50.68
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 50.68
Polar Surface Area: 73 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 95.7±3.0 cm3

Click to predict properties on the Chemicalize site


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