ChemSpider 2D Image | (1E,3E)-1-Isocyanato-1,3-pentadiene | C6H7NO

(1E,3E)-1-Isocyanato-1,3-pentadiene

  • Molecular FormulaC6H7NO
  • Average mass109.126 Da
  • Monoisotopic mass109.052765 Da
  • ChemSpider ID95659614

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,3E)-1-Isocyanato-1,3-pentadien [German] [ACD/IUPAC Name]
(1E,3E)-1-Isocyanato-1,3-pentadiene [ACD/IUPAC Name]
(1E,3E)-1-Isocyanato-1,3-pentadiène [French] [ACD/IUPAC Name]
1,3-Pentadiene, 1-isocyanato-, (1E,3E)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 142.8±13.0 °C at 760 mmHg
Vapour Pressure: 6.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.4±3.0 kJ/mol
Flash Point: 41.9±22.4 °C
Index of Refraction: 1.435
Molar Refractivity: 33.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.24
ACD/KOC (pH 5.5): 436.56
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.24
ACD/KOC (pH 7.4): 436.56
Polar Surface Area: 29 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 30.0±7.0 dyne/cm
Molar Volume: 129.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement