ChemSpider 2D Image | (2S)-2-Isocyanatobutane | C5H9NO

(2S)-2-Isocyanatobutane

  • Molecular FormulaC5H9NO
  • Average mass99.131 Da
  • Monoisotopic mass99.068413 Da
  • ChemSpider ID60638373

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Isocyanatobutan [German] [ACD/IUPAC Name]
(2S)-2-Isocyanatobutane [ACD/IUPAC Name]
(2S)-2-Isocyanatobutane [French] [ACD/IUPAC Name]
Butane, 2-isocyanato-, (2S)- [ACD/Index Name]
1025770-21-1 [RN]
MFCD24450700

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

Density: 0.9±0.1 g/cm3
Boiling Point: 104.7±9.0 °C at 760 mmHg
Vapour Pressure: 30.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.4±3.0 kJ/mol
Flash Point: 17.1±13.6 °C
Index of Refraction: 1.430
Molar Refractivity: 29.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.80
ACD/KOC (pH 5.5): 346.50
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.80
ACD/KOC (pH 7.4): 346.50
Polar Surface Area: 29 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 27.3±7.0 dyne/cm
Molar Volume: 112.8±7.0 cm3

Click to predict properties on the Chemicalize site


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