ChemSpider 2D Image | (2Z)-3-Isocyanatoacrylonitrile | C4H2N2O

(2Z)-3-Isocyanatoacrylonitrile

  • Molecular FormulaC4H2N2O
  • Average mass94.072 Da
  • Monoisotopic mass94.016716 Da
  • ChemSpider ID65999044

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-Isocyanatoacrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-Isocyanatoacrylonitrile [ACD/IUPAC Name]
(2Z)-3-Isocyanatoacrylonitrile [French] [ACD/IUPAC Name]
2-Propenenitrile, 3-isocyanato-, (2Z)- [ACD/Index Name]
(z,s-cis)-3-isocyanatoacrylonitrile

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

Density: 1.0±0.1 g/cm3
Boiling Point: 154.3±32.0 °C at 760 mmHg
Vapour Pressure: 3.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.1±3.0 kJ/mol
Flash Point: 47.1±25.1 °C
Index of Refraction: 1.475
Molar Refractivity: 26.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.90
ACD/KOC (pH 5.5): 92.15
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.90
ACD/KOC (pH 7.4): 92.15
Polar Surface Area: 53 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 95.2±7.0 cm3

Click to predict properties on the Chemicalize site


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